N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C67H51N3 — CID 130349362

IUPACN-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1C=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C=CC1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C67H51N3/c1-48-46-61(68(57-34-26-52(27-35-57)49-16-6-2-7-17-49)58-36-28-53(29-37-58)50-18-8-3-9-19-50)42-44-63(48)55-32-40-60(41-33-55)69(59-38-30-54(31-39-59)51-20-10-4-11-21-51)62-43-45-65-64-24-14-15-25-66(64)70(67(65)47-62)56-22-12-5-13-23-56/h2-48,63H,1H3
InChIKeyVPTKKXFOZPQPQA-UHFFFAOYSA-N
MW898.17 g/mol
LogP18.27
Rot. Bonds11

About N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 130349362) has the molecular formula C67H51N3 and a molecular weight of 898.17 g/mol. Its IUPAC name is N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID130349362
Molecular FormulaC67H51N3
Molecular Weight898.17 g/mol
Exact Mass897.41
IUPAC NameN-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1C=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C=CC1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C67H51N3/c1-48-46-61(68(57-34-26-52(27-35-57)49-16-6-2-7-17-49)58-36-28-53(29-37-58)50-18-8-3-9-19-50)42-44-63(48)55-32-40-60(41-33-55)69(59-38-30-54(31-39-59)51-20-10-4-11-21-51)62-43-45-65-64-24-14-15-25-66(64)70(67(65)47-62)56-22-12-5-13-23-56/h2-48,63H,1H3
InChIKeyVPTKKXFOZPQPQA-UHFFFAOYSA-N
XLogP18.27
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.17
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-[3-methyl-4-(4-naphthalen-1-ylphenyl)cyclohexa-1,5-dien-1-yl]phenanthren-2-amine
CID 166660433
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-yl-3-methylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154947190
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 130349362) is N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is CC1C=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C=CC1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is VPTKKXFOZPQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N3/c1-48-46-61(68(57-34-26-52(27-35-57)49-16-6-2-7-17-49)58-36-28-53(29-37-58)50-18-8-3-9-19-50)42-44-63(48)55-32-40-60(41-33-55)69(59-38-30-54(31-39-59)51-20-10-4-11-21-51)62-43-45-65-64-24-14-15-25-66(64)70(67(65)47-62)56-22-12-5-13-23-56/h2-48,63H,1H3.
What are the key properties of N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 898.17 g/mol, XLogP of 18.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 130349362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).