N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C56H42N2 — CID 138467755

IUPACN-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H42N2/c1-39-13-35-55-53(37-39)54-38-40(2)14-36-56(54)58(55)52-33-25-48(26-34-52)47-23-31-51(32-24-47)57(49-27-19-45(20-28-49)42-11-7-4-8-12-42)50-29-21-46(22-30-50)44-17-15-43(16-18-44)41-9-5-3-6-10-41/h3-38H,1-2H3
InChIKeyZLDZCLIPNKPPTM-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.54
Rot. Bonds8

About N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 138467755) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID138467755
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC NameN-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H42N2/c1-39-13-35-55-53(37-39)54-38-40(2)14-36-56(54)58(55)52-33-25-48(26-34-52)47-23-31-51(32-24-47)57(49-27-19-45(20-28-49)42-11-7-4-8-12-42)50-29-21-46(22-30-50)44-17-15-43(16-18-44)41-9-5-3-6-10-41/h3-38H,1-2H3
InChIKeyZLDZCLIPNKPPTM-UHFFFAOYSA-N
XLogP15.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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,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-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
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
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 138467755) is N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ZLDZCLIPNKPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-39-13-35-55-53(37-39)54-38-40(2)14-36-56(54)58(55)52-33-25-48(26-34-52)47-23-31-51(32-24-47)57(49-27-19-45(20-28-49)42-11-7-4-8-12-42)50-29-21-46(22-30-50)44-17-15-43(16-18-44)41-9-5-3-6-10-41/h3-38H,1-2H3.
What are the key properties of N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 742.97 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 138467755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).