7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine

C345H205F8N5S — CID 159952650

IUPAC7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.Fc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc(-c4ccc(C(F)(F)F)cc4)c4cccc-3c24)cc1.N#Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccccc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccc6s5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccn6c5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-n4c5ccccc5c5ccccc54)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4cccc-3c24)nc1
InChIInChI=1S/C46H26N2.C46H29N.C46H28S.C46H28.C44H27N.C39H21F5.C39H23F3.C39H23N/c1-2-12-34-33(11-1)43(38-15-3-5-25-47-38)45-36-14-8-13-32-31(23-24-37(42(32)36)46(45)44(34)39-16-4-6-26-48-39)30-21-19-29-18-17-27-9-7-10-28-20-22-35(30)41(29)40(27)28;1-3-12-32(13-4-1)42-38-17-7-8-18-39(38)43(33-14-5-2-6-15-33)46-41-26-25-36(37-19-11-20-40(44(37)41)45(42)46)31-23-21-30(22-24-31)34-28-35-16-9-10-27-47(35)29-34;1-3-12-31(13-4-1)42-36-17-8-9-18-37(36)43(32-14-5-2-6-15-32)46-39-27-26-34(35-19-11-20-38(44(35)39)45(42)46)29-22-24-30(25-23-29)41-28-33-16-7-10-21-40(33)47-41;1-3-14-29(15-4-1)42-37-22-11-12-23-38(37)43(30-16-5-2-6-17-30)46-40-27-26-35(36-24-13-25-39(44(36)40)45(42)46)41-28-31-18-7-8-19-32(31)33-20-9-10-21-34(33)41;1-3-14-28(15-4-1)40-32-20-7-8-21-33(32)41(29-16-5-2-6-17-29)44-36-26-27-39(34-22-13-23-35(42(34)36)43(40)44)45-37-24-11-9-18-30(37)31-19-10-12-25-38(31)45;40-26-16-10-23(11-17-26)34-30-4-1-2-5-31(30)35(24-12-18-27(41)19-13-24)38-33-21-20-28(22-8-14-25(15-9-22)39(42,43)44)29-6-3-7-32(36(29)33)37(34)38;40-39(41,42)27-20-18-24(19-21-27)28-22-23-33-36-29(28)16-9-17-32(36)37-34(25-10-3-1-4-11-25)30-14-7-8-15-31(30)35(38(33)37)26-12-5-2-6-13-26;40-24-25-18-20-26(21-19-25)29-22-23-34-37-30(29)16-9-17-33(37)38-35(27-10-3-1-4-11-27)31-14-7-8-15-32(31)36(39(34)38)28-12-5-2-6-13-28/h1-26H;1-29H;1-28H;1-28H;1-27H;1-21H;1-23H;1-23H
InChIKeyOCHREFHAGNIMRA-UHFFFAOYSA-N
MW4604.52 g/mol
LogP97.54
Rot. Bonds26

About 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine

7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine (PubChem CID 159952650) has the molecular formula C345H205F8N5S and a molecular weight of 4604.52 g/mol. Its IUPAC name is 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine.

Molecular Properties

Compound Name7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
PubChem CID159952650
Molecular FormulaC345H205F8N5S
Molecular Weight4604.52 g/mol
Exact Mass4600.58
IUPAC Name7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.Fc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc(-c4ccc(C(F)(F)F)cc4)c4cccc-3c24)cc1.N#Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccccc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccc6s5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccn6c5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-n4c5ccccc5c5ccccc54)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4cccc-3c24)nc1
InChIInChI=1S/C46H26N2.C46H29N.C46H28S.C46H28.C44H27N.C39H21F5.C39H23F3.C39H23N/c1-2-12-34-33(11-1)43(38-15-3-5-25-47-38)45-36-14-8-13-32-31(23-24-37(42(32)36)46(45)44(34)39-16-4-6-26-48-39)30-21-19-29-18-17-27-9-7-10-28-20-22-35(30)41(29)40(27)28;1-3-12-32(13-4-1)42-38-17-7-8-18-39(38)43(33-14-5-2-6-15-33)46-41-26-25-36(37-19-11-20-40(44(37)41)45(42)46)31-23-21-30(22-24-31)34-28-35-16-9-10-27-47(35)29-34;1-3-12-31(13-4-1)42-36-17-8-9-18-37(36)43(32-14-5-2-6-15-32)46-39-27-26-34(35-19-11-20-38(44(35)39)45(42)46)29-22-24-30(25-23-29)41-28-33-16-7-10-21-40(33)47-41;1-3-14-29(15-4-1)42-37-22-11-12-23-38(37)43(30-16-5-2-6-17-30)46-40-27-26-35(36-24-13-25-39(44(36)40)45(42)46)41-28-31-18-7-8-19-32(31)33-20-9-10-21-34(33)41;1-3-14-28(15-4-1)40-32-20-7-8-21-33(32)41(29-16-5-2-6-17-29)44-36-26-27-39(34-22-13-23-35(42(34)36)43(40)44)45-37-24-11-9-18-30(37)31-19-10-12-25-38(31)45;40-26-16-10-23(11-17-26)34-30-4-1-2-5-31(30)35(24-12-18-27(41)19-13-24)38-33-21-20-28(22-8-14-25(15-9-22)39(42,43)44)29-6-3-7-32(36(29)33)37(34)38;40-39(41,42)27-20-18-24(19-21-27)28-22-23-33-36-29(28)16-9-17-32(36)37-34(25-10-3-1-4-11-25)30-14-7-8-15-31(30)35(38(33)37)26-12-5-2-6-13-26;40-24-25-18-20-26(21-19-25)29-22-23-34-37-30(29)16-9-17-33(37)38-35(27-10-3-1-4-11-27)31-14-7-8-15-32(31)36(39(34)38)28-12-5-2-6-13-28/h1-26H;1-29H;1-28H;1-28H;1-27H;1-21H;1-23H;1-23H
InChIKeyOCHREFHAGNIMRA-UHFFFAOYSA-N
XLogP97.54
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms359
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004604.52
LogP ≤ 597.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(trifluoromethyl)carbazol-9-yl]-5-[2-(trifluoromethyl)-9H-fluoren-9-yl]benzonitrile
CID 139441753
7,12-Dinaphthalen-2-yl-3-phenylbenzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-5-phenylthiophene;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-naphthalen-2-yl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
CID 158183349
7,12-Bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalene-2-carbonitrile;4-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]benzonitrile;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenylcarbazole;3-(2,6-diphenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;7,12-diphenyl-3-(3-phenylnaphthalen-2-yl)benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene
CID 158340649
CID 158814938
CID 158814938
CID 159383390
CID 159383390
7,12-Bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]benzonitrile;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;3-(2,6-diphenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
CID 160452428
1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;11H-[1]benzothiolo[2,3-a]indolizin-10-ium;6H-pyrido[2,1-a]isoindol-5-ium-3-carbonitrile;4H-thieno[2,3-a]indolizin-5-ium;8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium
CID 160658357
7,12-Bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]benzonitrile;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;3-(2,6-diphenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;7,12-diphenyl-3-(3-phenylnaphthalen-2-yl)benzo[k]fluoranthene;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine
CID 161816013
CID 172924098
CID 172924098
CID 172942893
CID 172942893
CID 172944126
CID 172944126
2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 160546594

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine?
The IUPAC name of 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine (CID 159952650) is 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine.
What is the SMILES notation for 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine?
The canonical SMILES for 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine is FC(F)(F)c1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.Fc1ccc(-c2c3c(c(-c4ccc(F)cc4)c4ccccc24)-c2ccc(-c4ccc(C(F)(F)F)cc4)c4cccc-3c24)cc1.N#Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccccc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccc6s5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5cc6ccccn6c5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-n4c5ccccc5c5ccccc54)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccn4)c4ccccc24)-c2ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4cccc-3c24)nc1.
What is the InChIKey of 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine?
The InChIKey is OCHREFHAGNIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2.C46H29N.C46H28S.C46H28.C44H27N.C39H21F5.C39H23F3.C39H23N/c1-2-12-34-33(11-1)43(38-15-3-5-25-47-38)45-36-14-8-13-32-31(23-24-37(42(32)36)46(45)44(34)39-16-4-6-26-48-39)30-21-19-29-18-17-27-9-7-10-28-20-22-35(30)41(29)40(27)28;1-3-12-32(13-4-1)42-38-17-7-8-18-39(38)43(33-14-5-2-6-15-33)46-41-26-25-36(37-19-11-20-40(44(37)41)45(42)46)31-23-21-30(22-24-31)34-28-35-16-9-10-27-47(35)29-34;1-3-12-31(13-4-1)42-36-17-8-9-18-37(36)43(32-14-5-2-6-15-32)46-39-27-26-34(35-19-11-20-38(44(35)39)45(42)46)29-22-24-30(25-23-29)41-28-33-16-7-10-21-40(33)47-41;1-3-14-29(15-4-1)42-37-22-11-12-23-38(37)43(30-16-5-2-6-17-30)46-40-27-26-35(36-24-13-25-39(44(36)40)45(42)46)41-28-31-18-7-8-19-32(31)33-20-9-10-21-34(33)41;1-3-14-28(15-4-1)40-32-20-7-8-21-33(32)41(29-16-5-2-6-17-29)44-36-26-27-39(34-22-13-23-35(42(34)36)43(40)44)45-37-24-11-9-18-30(37)31-19-10-12-25-38(31)45;40-26-16-10-23(11-17-26)34-30-4-1-2-5-31(30)35(24-12-18-27(41)19-13-24)38-33-21-20-28(22-8-14-25(15-9-22)39(42,43)44)29-6-3-7-32(36(29)33)37(34)38;40-39(41,42)27-20-18-24(19-21-27)28-22-23-33-36-29(28)16-9-17-32(36)37-34(25-10-3-1-4-11-25)30-14-7-8-15-31(30)35(38(33)37)26-12-5-2-6-13-26;40-24-25-18-20-26(21-19-25)29-22-23-34-37-30(29)16-9-17-33(37)38-35(27-10-3-1-4-11-27)31-14-7-8-15-32(31)36(39(34)38)28-12-5-2-6-13-28/h1-26H;1-29H;1-28H;1-28H;1-27H;1-21H;1-23H;1-23H.
What are the key properties of 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine?
7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine has a molecular weight of 4604.52 g/mol, XLogP of 97.54, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile;9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)carbazole;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-benzothiophene;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]indolizine;7,12-diphenyl-3-[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;3-phenanthren-9-yl-7,12-diphenylbenzo[k]fluoranthene;2-(3-pyren-1-yl-7-pyridin-2-ylbenzo[k]fluoranthen-12-yl)pyridine is sourced from PubChem (CID 159952650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).