3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C181H116N8S — CID 160765349

IUPAC3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H31N3.C48H32N2.C43H25N3S.C42H28/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34;44-26-27-16-20-30(21-17-27)45-37-12-4-1-8-31(37)35-24-28(18-22-39(35)45)29-19-23-40-36(25-29)32-9-2-5-13-38(32)46(40)41-14-7-11-34-33-10-3-6-15-42(33)47-43(34)41;1-3-12-29(13-4-1)34-25-35(30-14-5-2-6-15-30)27-36(26-34)32-17-11-16-31(24-32)33-22-23-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)28-33/h1-31H;1-32H;1-25H;1-28H
InChIKeyRYPQAFSMTFKNHW-UHFFFAOYSA-N
MW2435.04 g/mol
LogP49.13
Rot. Bonds16

About 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 160765349) has the molecular formula C181H116N8S and a molecular weight of 2435.04 g/mol. Its IUPAC name is 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID160765349
Molecular FormulaC181H116N8S
Molecular Weight2435.04 g/mol
Exact Mass2432.90
IUPAC Name3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H31N3.C48H32N2.C43H25N3S.C42H28/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34;44-26-27-16-20-30(21-17-27)45-37-12-4-1-8-31(37)35-24-28(18-22-39(35)45)29-19-23-40-36(25-29)32-9-2-5-13-38(32)46(40)41-14-7-11-34-33-10-3-6-15-42(33)47-43(34)41;1-3-12-29(13-4-1)34-25-35(30-14-5-2-6-15-30)27-36(26-34)32-17-11-16-31(24-32)33-22-23-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)28-33/h1-31H;1-32H;1-25H;1-28H
InChIKeyRYPQAFSMTFKNHW-UHFFFAOYSA-N
XLogP49.13
TPSA58.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002435.04
LogP ≤ 549.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole with MolForge

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 126729166

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 160765349) is 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is RYPQAFSMTFKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C48H32N2.C43H25N3S.C42H28/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34;44-26-27-16-20-30(21-17-27)45-37-12-4-1-8-31(37)35-24-28(18-22-39(35)45)29-19-23-40-36(25-29)32-9-2-5-13-38(32)46(40)41-14-7-11-34-33-10-3-6-15-42(33)47-43(34)41;1-3-12-29(13-4-1)34-25-35(30-14-5-2-6-15-30)27-36(26-34)32-17-11-16-31(24-32)33-22-23-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)28-33/h1-31H;1-32H;1-25H;1-28H.
What are the key properties of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 2435.04 g/mol, XLogP of 49.13, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 160765349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).