9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane

C116H116N4 — CID 158926363

IUPAC9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
SMILESC.C.C.C.C.C.C=Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.CCC(CC(C)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C56H48N2.C28H25N.C26H19N.6CH4/c1-5-40(42-23-25-43(26-24-42)44-27-29-47(30-28-44)57-55-31-17-37(2)33-51(55)52-34-38(3)18-32-56(52)57)35-39(4)41-19-21-45(22-20-41)46-11-10-12-48(36-46)58-53-15-8-6-13-49(53)50-14-7-9-16-54(50)58;1-4-23-9-11-24(12-10-23)25-13-19-28(20-14-25)29(26-15-5-21(2)6-16-26)27-17-7-22(3)8-18-27;1-2-19-14-16-20(17-15-19)21-8-7-9-22(18-21)27-25-12-5-3-10-23(25)24-11-4-6-13-26(24)27;;;;;;/h6-34,36,39-40H,5,35H2,1-4H3;4-20H,1H2,2-3H3;2-18H,1H2;6*1H4
InChIKeyJIMLNHVJCLBURV-UHFFFAOYSA-N
MW1566.23 g/mol
LogP34.51
Rot. Bonds17

About 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane

9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane (PubChem CID 158926363) has the molecular formula C116H116N4 and a molecular weight of 1566.23 g/mol. Its IUPAC name is 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane.

Molecular Properties

Compound Name9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
PubChem CID158926363
Molecular FormulaC116H116N4
Molecular Weight1566.23 g/mol
Exact Mass1564.92
IUPAC Name9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
SMILESC.C.C.C.C.C.C=Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.CCC(CC(C)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C56H48N2.C28H25N.C26H19N.6CH4/c1-5-40(42-23-25-43(26-24-42)44-27-29-47(30-28-44)57-55-31-17-37(2)33-51(55)52-34-38(3)18-32-56(52)57)35-39(4)41-19-21-45(22-20-41)46-11-10-12-48(36-46)58-53-15-8-6-13-49(53)50-14-7-9-16-54(50)58;1-4-23-9-11-24(12-10-23)25-13-19-28(20-14-25)29(26-15-5-21(2)6-16-26)27-17-7-22(3)8-18-27;1-2-19-14-16-20(17-15-19)21-8-7-9-22(18-21)27-25-12-5-3-10-23(25)24-11-4-6-13-26(24)27;;;;;;/h6-34,36,39-40H,5,35H2,1-4H3;4-20H,1H2,2-3H3;2-18H,1H2;6*1H4
InChIKeyJIMLNHVJCLBURV-UHFFFAOYSA-N
XLogP34.51
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001566.23
LogP ≤ 534.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane with MolForge

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Related Compounds

N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 159506351
9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
CID 59742251
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The IUPAC name of 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane (CID 158926363) is 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane.
What is the SMILES notation for 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The canonical SMILES for 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane is C.C.C.C.C.C.C=Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.C=Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.CCC(CC(C)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
The InChIKey is JIMLNHVJCLBURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2.C28H25N.C26H19N.6CH4/c1-5-40(42-23-25-43(26-24-42)44-27-29-47(30-28-44)57-55-31-17-37(2)33-51(55)52-34-38(3)18-32-56(52)57)35-39(4)41-19-21-45(22-20-41)46-11-10-12-48(36-46)58-53-15-8-6-13-49(53)50-14-7-9-16-54(50)58;1-4-23-9-11-24(12-10-23)25-13-19-28(20-14-25)29(26-15-5-21(2)6-16-26)27-17-7-22(3)8-18-27;1-2-19-14-16-20(17-15-19)21-8-7-9-22(18-21)27-25-12-5-3-10-23(25)24-11-4-6-13-26(24)27;;;;;;/h6-34,36,39-40H,5,35H2,1-4H3;4-20H,1H2,2-3H3;2-18H,1H2;6*1H4.
What are the key properties of 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane?
9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane has a molecular weight of 1566.23 g/mol, XLogP of 34.51, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane is sourced from PubChem (CID 158926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).