3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C152H110N6 — CID 163763883

IUPAC3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4C=CC=CC4N5c4cc(-c5ccccc5)cc(C5C=CC=CC5)c4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc43)c2)cc1
InChIInChI=1S/C54H38N2.C50H40N2.C48H32N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)51-37-44(28-32-54(51)56)43-27-31-52(50(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40;1-33-25-34(2)27-41(26-33)51-47-19-11-9-17-43(47)45-31-37(21-23-49(45)51)38-22-24-50-46(32-38)44-18-10-12-20-48(44)52(50)42-29-39(35-13-5-3-6-14-35)28-40(30-42)36-15-7-4-8-16-36;1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-37,55H;3-15,17-32,36,44,48H,16H2,1-2H3;1-32H
InChIKeyMANZYPGMWNWEFO-UHFFFAOYSA-N
MW2020.59 g/mol
LogP40.81
Rot. Bonds18

About 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 163763883) has the molecular formula C152H110N6 and a molecular weight of 2020.59 g/mol. Its IUPAC name is 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID163763883
Molecular FormulaC152H110N6
Molecular Weight2020.59 g/mol
Exact Mass2018.88
IUPAC Name3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESCc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4C=CC=CC4N5c4cc(-c5ccccc5)cc(C5C=CC=CC5)c4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc43)c2)cc1
InChIInChI=1S/C54H38N2.C50H40N2.C48H32N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)51-37-44(28-32-54(51)56)43-27-31-52(50(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40;1-33-25-34(2)27-41(26-33)51-47-19-11-9-17-43(47)45-31-37(21-23-49(45)51)38-22-24-50-46(32-38)44-18-10-12-20-48(44)52(50)42-29-39(35-13-5-3-6-14-35)28-40(30-42)36-15-7-4-8-16-36;1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-37,55H;3-15,17-32,36,44,48H,16H2,1-2H3;1-32H
InChIKeyMANZYPGMWNWEFO-UHFFFAOYSA-N
XLogP40.81
TPSA34.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002020.59
LogP ≤ 540.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole with MolForge

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Related Compounds

3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole
CID 163763884
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
N-(3,5-diphenylphenyl)-2-phenyl-5-(9-phenylcarbazol-2-yl)aniline;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(3-phenylphenyl)carbazol-2-yl]aniline;N-(3,5-diphenylphenyl)-2-phenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163765260
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 163763883) is 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4C=CC=CC4N5c4cc(-c5ccccc5)cc(C5C=CC=CC5)c4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is MANZYPGMWNWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2.C50H40N2.C48H32N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)51-37-44(28-32-54(51)56)43-27-31-52(50(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40;1-33-25-34(2)27-41(26-33)51-47-19-11-9-17-43(47)45-31-37(21-23-49(45)51)38-22-24-50-46(32-38)44-18-10-12-20-48(44)52(50)42-29-39(35-13-5-3-6-14-35)28-40(30-42)36-15-7-4-8-16-36;1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-37,55H;3-15,17-32,36,44,48H,16H2,1-2H3;1-32H.
What are the key properties of 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 2020.59 g/mol, XLogP of 40.81, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 163763883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).