3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C164H109N5S — CID 158582556

IUPAC3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C55H37NS.C55H37N.C54H35N3/c1-3-11-37(12-4-1)39-19-25-42(26-20-39)55(43-27-21-40(22-28-43)38-13-5-2-6-14-38)44-29-23-41(24-30-44)45-31-33-52-49(35-45)47-15-7-9-17-51(47)56(52)46-32-34-54-50(36-46)48-16-8-10-18-53(48)57-54;1-4-16-38(17-5-1)39-28-30-42(31-29-39)56(43-32-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-43)44-33-35-51-50-26-14-15-27-53(50)55(54(51)37-44,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-36,55H;1-37H;1-35H
InChIKeyHTKWTPXBXQJQSO-UHFFFAOYSA-N
MW2181.78 g/mol
LogP44.29
Rot. Bonds18

About 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole

3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158582556) has the molecular formula C164H109N5S and a molecular weight of 2181.78 g/mol. Its IUPAC name is 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID158582556
Molecular FormulaC164H109N5S
Molecular Weight2181.78 g/mol
Exact Mass2179.84
IUPAC Name3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C55H37NS.C55H37N.C54H35N3/c1-3-11-37(12-4-1)39-19-25-42(26-20-39)55(43-27-21-40(22-28-43)38-13-5-2-6-14-38)44-29-23-41(24-30-44)45-31-33-52-49(35-45)47-15-7-9-17-51(47)56(52)46-32-34-54-50(36-46)48-16-8-10-18-53(48)57-54;1-4-16-38(17-5-1)39-28-30-42(31-29-39)56(43-32-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-43)44-33-35-51-50-26-14-15-27-53(50)55(54(51)37-44,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-36,55H;1-37H;1-35H
InChIKeyHTKWTPXBXQJQSO-UHFFFAOYSA-N
XLogP44.29
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002181.78
LogP ≤ 544.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-N,N-diphenylaniline;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 157301696

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 158582556) is 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is HTKWTPXBXQJQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS.C55H37N.C54H35N3/c1-3-11-37(12-4-1)39-19-25-42(26-20-39)55(43-27-21-40(22-28-43)38-13-5-2-6-14-38)44-29-23-41(24-30-44)45-31-33-52-49(35-45)47-15-7-9-17-51(47)56(52)46-32-34-54-50(36-46)48-16-8-10-18-53(48)57-54;1-4-16-38(17-5-1)39-28-30-42(31-29-39)56(43-32-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-43)44-33-35-51-50-26-14-15-27-53(50)55(54(51)37-44,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-36,55H;1-37H;1-35H.
What are the key properties of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2181.78 g/mol, XLogP of 44.29, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 158582556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).