N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

C49H35N3 — CID 177077786

IUPACN-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESCn1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C49H35N3/c1-50-44-19-10-8-17-41(44)42-32-27-37(33-48(42)50)36-25-30-40(31-26-36)51(39-28-23-35(24-29-39)34-13-4-2-5-14-34)46-21-12-22-47-49(46)43-18-9-11-20-45(43)52(47)38-15-6-3-7-16-38/h2-33H,1H3
InChIKeyROUIDHWHLDZCDI-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.23
Rot. Bonds6

About N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 177077786) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID177077786
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC NameN-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESCn1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C49H35N3/c1-50-44-19-10-8-17-41(44)42-32-27-37(33-48(42)50)36-25-30-40(31-26-36)51(39-28-23-35(24-29-39)34-13-4-2-5-14-34)46-21-12-22-47-49(46)43-18-9-11-20-45(43)52(47)38-15-6-3-7-16-38/h2-33H,1H3
InChIKeyROUIDHWHLDZCDI-UHFFFAOYSA-N
XLogP13.23
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (CID 177077786) is N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is Cn1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is ROUIDHWHLDZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-50-44-19-10-8-17-41(44)42-32-27-37(33-48(42)50)36-25-30-40(31-26-36)51(39-28-23-35(24-29-39)34-13-4-2-5-14-34)46-21-12-22-47-49(46)43-18-9-11-20-45(43)52(47)38-15-6-3-7-16-38/h2-33H,1H3.
What are the key properties of N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 665.84 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 177077786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).