4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline

C60H44N2 — CID 154935369

IUPAC4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESC1=CCCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C1
InChIInChI=1S/C60H44N2/c1-5-13-43(14-6-1)47-21-31-53(32-22-47)61(54-33-23-48(24-34-54)44-15-7-2-8-16-44)55-35-27-50(28-36-55)52-30-40-60-58(42-52)57-41-51(46-19-11-4-12-20-46)29-39-59(57)62(60)56-37-25-49(26-38-56)45-17-9-3-10-18-45/h1-7,9-15,17-42H,8,16H2
InChIKeyUNOBTEMDBSHFJE-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.65
Rot. Bonds9

About 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline

4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline (PubChem CID 154935369) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
PubChem CID154935369
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESC1=CCCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C1
InChIInChI=1S/C60H44N2/c1-5-13-43(14-6-1)47-21-31-53(32-22-47)61(54-33-23-48(24-34-54)44-15-7-2-8-16-44)55-35-27-50(28-36-55)52-30-40-60-58(42-52)57-41-51(46-19-11-4-12-20-46)29-39-59(57)62(60)56-37-25-49(26-38-56)45-17-9-3-10-18-45/h1-7,9-15,17-42H,8,16H2
InChIKeyUNOBTEMDBSHFJE-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145159851
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline (CID 154935369) is 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline is C1=CCCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The InChIKey is UNOBTEMDBSHFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-5-13-43(14-6-1)47-21-31-53(32-22-47)61(54-33-23-48(24-34-54)44-15-7-2-8-16-44)55-35-27-50(28-36-55)52-30-40-60-58(42-52)57-41-51(46-19-11-4-12-20-46)29-39-59(57)62(60)56-37-25-49(26-38-56)45-17-9-3-10-18-45/h1-7,9-15,17-42H,8,16H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline has a molecular weight of 793.03 g/mol, XLogP of 16.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 154935369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).