2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane

C199H131N13S3Si — CID 159912005

IUPAC2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane
SMILESC.C.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c5cccnc5c5ccccc5c4n2)ccc1n3-c1ccccc1.c1cc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccc(-c4ccc5c6cccnc6c6ccccc6c5n4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1
InChIInChI=1S/C43H29N3.2C40H23N3S.C40H28N2Si.C34H20N2S.2CH4/c1-43(2)36-17-9-8-13-28(36)33-25-40-35(24-37(33)43)34-23-26(18-21-39(34)46(40)27-11-4-3-5-12-27)38-20-19-32-30-16-10-22-44-41(30)29-14-6-7-15-31(29)42(32)45-38;1-2-10-29-27(9-1)38-28(12-7-23-41-38)30-19-21-33(42-39(29)30)24-15-17-25(18-16-24)43-34-13-5-3-11-32(34)37-35(43)22-20-31-26-8-4-6-14-36(26)44-40(31)37;1-2-9-25(10-3-1)43-34-20-16-24(23-32(34)37-35(43)21-18-31-26-11-6-7-15-36(26)44-40(31)37)33-19-17-30-28-14-8-22-41-38(28)27-12-4-5-13-29(27)39(30)42-33;1-4-15-30(16-5-1)43(31-17-6-2-7-18-31,32-19-8-3-9-20-32)33-21-12-14-29(28-33)38-26-25-37-35-24-13-27-41-39(35)34-22-10-11-23-36(34)40(37)42-38;1-2-12-27-25(11-1)32-26(15-7-19-35-32)28-17-18-30(36-33(27)28)22-9-5-8-21(20-22)23-13-6-14-29-24-10-3-4-16-31(24)37-34(23)29;;/h3-25H,1-2H3;2*1-23H;1-28H;1-20H;2*1H4
InChIKeyNXHFZYKPOCQUGX-UHFFFAOYSA-N
MW2828.61 g/mol
LogP51.03
Rot. Bonds13

About 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane

2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane (PubChem CID 159912005) has the molecular formula C199H131N13S3Si and a molecular weight of 2828.61 g/mol. Its IUPAC name is 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane.

Molecular Properties

Compound Name2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane
PubChem CID159912005
Molecular FormulaC199H131N13S3Si
Molecular Weight2828.61 g/mol
Exact Mass2825.96
IUPAC Name2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane
SMILESC.C.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c5cccnc5c5ccccc5c4n2)ccc1n3-c1ccccc1.c1cc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccc(-c4ccc5c6cccnc6c6ccccc6c5n4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1
InChIInChI=1S/C43H29N3.2C40H23N3S.C40H28N2Si.C34H20N2S.2CH4/c1-43(2)36-17-9-8-13-28(36)33-25-40-35(24-37(33)43)34-23-26(18-21-39(34)46(40)27-11-4-3-5-12-27)38-20-19-32-30-16-10-22-44-41(30)29-14-6-7-15-31(29)42(32)45-38;1-2-10-29-27(9-1)38-28(12-7-23-41-38)30-19-21-33(42-39(29)30)24-15-17-25(18-16-24)43-34-13-5-3-11-32(34)37-35(43)22-20-31-26-8-4-6-14-36(26)44-40(31)37;1-2-9-25(10-3-1)43-34-20-16-24(23-32(34)37-35(43)21-18-31-26-11-6-7-15-36(26)44-40(31)37)33-19-17-30-28-14-8-22-41-38(28)27-12-4-5-13-29(27)39(30)42-33;1-4-15-30(16-5-1)43(31-17-6-2-7-18-31,32-19-8-3-9-20-32)33-21-12-14-29(28-33)38-26-25-37-35-24-13-27-41-39(35)34-22-10-11-23-36(34)40(37)42-38;1-2-12-27-25(11-1)32-26(15-7-19-35-32)28-17-18-30(36-33(27)28)22-9-5-8-21(20-22)23-13-6-14-29-24-10-3-4-16-31(24)37-34(23)29;;/h3-25H,1-2H3;2*1-23H;1-28H;1-20H;2*1H4
InChIKeyNXHFZYKPOCQUGX-UHFFFAOYSA-N
XLogP51.03
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002828.61
LogP ≤ 551.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane with MolForge

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Related Compounds

7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157086336
5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 90057304
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;methane;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole
CID 162165414
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
7,7-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;4-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-b]carbazole;5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159415052
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 164968186
9-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)carbazol-3-yl]-5-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 170096364
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
2-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 160697794
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290

Frequently Asked Questions

What is the IUPAC name of 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane?
The IUPAC name of 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane (CID 159912005) is 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane.
What is the SMILES notation for 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane?
The canonical SMILES for 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane is C.C.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c5cccnc5c5ccccc5c4n2)ccc1n3-c1ccccc1.c1cc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-n2c3ccc(-c4ccc5c6cccnc6c6ccccc6c5n4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4c5cccnc5c5ccccc5c4n3)c2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1.
What is the InChIKey of 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane?
The InChIKey is NXHFZYKPOCQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3.2C40H23N3S.C40H28N2Si.C34H20N2S.2CH4/c1-43(2)36-17-9-8-13-28(36)33-25-40-35(24-37(33)43)34-23-26(18-21-39(34)46(40)27-11-4-3-5-12-27)38-20-19-32-30-16-10-22-44-41(30)29-14-6-7-15-31(29)42(32)45-38;1-2-10-29-27(9-1)38-28(12-7-23-41-38)30-19-21-33(42-39(29)30)24-15-17-25(18-16-24)43-34-13-5-3-11-32(34)37-35(43)22-20-31-26-8-4-6-14-36(26)44-40(31)37;1-2-9-25(10-3-1)43-34-20-16-24(23-32(34)37-35(43)21-18-31-26-11-6-7-15-36(26)44-40(31)37)33-19-17-30-28-14-8-22-41-38(28)27-12-4-5-13-29(27)39(30)42-33;1-4-15-30(16-5-1)43(31-17-6-2-7-18-31,32-19-8-3-9-20-32)33-21-12-14-29(28-33)38-26-25-37-35-24-13-27-41-39(35)34-22-10-11-23-36(34)40(37)42-38;1-2-12-27-25(11-1)32-26(15-7-19-35-32)28-17-18-30(36-33(27)28)22-9-5-8-21(20-22)23-13-6-14-29-24-10-3-4-16-31(24)37-34(23)29;;/h3-25H,1-2H3;2*1-23H;1-28H;1-20H;2*1H4.
What are the key properties of 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane?
2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane has a molecular weight of 2828.61 g/mol, XLogP of 51.03, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane is sourced from PubChem (CID 159912005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).