2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

C100H60N4 — CID 159351866

IUPAC2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/2C50H30N2/c1-2-13-35(14-3-1)51-47-24-21-34(29-43(47)44-27-31-11-4-5-12-32(31)30-49(44)51)33-22-25-48-42(28-33)38-17-8-9-20-45(38)52(48)46-26-23-40-37-16-7-6-15-36(37)39-18-10-19-41(46)50(39)40;1-2-12-34(13-3-1)51-44-20-9-8-17-38(44)42-29-32(22-25-46(42)51)33-23-26-47-43(30-33)50-35-14-5-4-11-31(35)21-27-48(50)52(47)45-28-24-40-37-16-7-6-15-36(37)39-18-10-19-41(45)49(39)40/h2*1-30H
InChIKeyLHKQGULABQZFHL-UHFFFAOYSA-N
MW1317.61 g/mol
LogP27.00
Rot. Bonds6

About 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (PubChem CID 159351866) has the molecular formula C100H60N4 and a molecular weight of 1317.61 g/mol. Its IUPAC name is 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

Molecular Properties

Compound Name2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
PubChem CID159351866
Molecular FormulaC100H60N4
Molecular Weight1317.61 g/mol
Exact Mass1316.48
IUPAC Name2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/2C50H30N2/c1-2-13-35(14-3-1)51-47-24-21-34(29-43(47)44-27-31-11-4-5-12-32(31)30-49(44)51)33-22-25-48-42(28-33)38-17-8-9-20-45(38)52(48)46-26-23-40-37-16-7-6-15-36(37)39-18-10-19-41(46)50(39)40;1-2-12-34(13-3-1)51-44-20-9-8-17-38(44)42-29-32(22-25-46(42)51)33-23-26-47-43(30-33)50-35-14-5-4-11-31(35)21-27-48(50)52(47)45-28-24-40-37-16-7-6-15-36(37)39-18-10-19-41(45)49(39)40/h2*1-30H
InChIKeyLHKQGULABQZFHL-UHFFFAOYSA-N
XLogP27.00
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.61
LogP ≤ 527.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole 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-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326341
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326402
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
5-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326392
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;3-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-phenylcarbazole
CID 160959473

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The IUPAC name of 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (CID 159351866) is 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.
What is the SMILES notation for 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The canonical SMILES for 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The InChIKey is LHKQGULABQZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N2/c1-2-13-35(14-3-1)51-47-24-21-34(29-43(47)44-27-31-11-4-5-12-32(31)30-49(44)51)33-22-25-48-42(28-33)38-17-8-9-20-45(38)52(48)46-26-23-40-37-16-7-6-15-36(37)39-18-10-19-41(46)50(39)40;1-2-12-34(13-3-1)51-44-20-9-8-17-38(44)42-29-32(22-25-46(42)51)33-23-26-47-43(30-33)50-35-14-5-4-11-31(35)21-27-48(50)52(47)45-28-24-40-37-16-7-6-15-36(37)39-18-10-19-41(45)49(39)40/h2*1-30H.
What are the key properties of 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole has a molecular weight of 1317.61 g/mol, XLogP of 27.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is sourced from PubChem (CID 159351866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).