N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine

C58H41N3 — CID 177098641

IUPACN-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESc1ccc(Nc2cccc(-c3ccc(-c4cccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cc6ccccc6cc5-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C58H41N3/c1-4-16-43(17-5-1)55-38-46-18-10-11-19-47(46)39-57(55)60(52-34-35-54-53-28-12-13-29-56(53)61(58(54)40-52)50-25-8-3-9-26-50)51-27-15-21-45(37-51)42-32-30-41(31-33-42)44-20-14-24-49(36-44)59-48-22-6-2-7-23-48/h1-40,59H
InChIKeyLXGNEJBLDFUZSR-UHFFFAOYSA-N
MW779.99 g/mol
LogP16.15
Rot. Bonds9

About N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine

N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine (PubChem CID 177098641) has the molecular formula C58H41N3 and a molecular weight of 779.99 g/mol. Its IUPAC name is N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
PubChem CID177098641
Molecular FormulaC58H41N3
Molecular Weight779.99 g/mol
Exact Mass779.33
IUPAC NameN-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESc1ccc(Nc2cccc(-c3ccc(-c4cccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cc6ccccc6cc5-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C58H41N3/c1-4-16-43(17-5-1)55-38-46-18-10-11-19-47(46)39-57(55)60(52-34-35-54-53-28-12-13-29-56(53)61(58(54)40-52)50-25-8-3-9-26-50)51-27-15-21-45(37-51)42-32-30-41(31-33-42)44-20-14-24-49(36-44)59-48-22-6-2-7-23-48/h1-40,59H
InChIKeyLXGNEJBLDFUZSR-UHFFFAOYSA-N
XLogP16.15
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.99
LogP ≤ 516.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 176588168
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
9-phenyl-N-(17-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166033477
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170139000
1-bromo-4-phenylbenzene;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 158034274
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine?
The IUPAC name of N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine (CID 177098641) is N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine.
What is the SMILES notation for N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine?
The canonical SMILES for N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine is c1ccc(Nc2cccc(-c3ccc(-c4cccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cc6ccccc6cc5-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine?
The InChIKey is LXGNEJBLDFUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3/c1-4-16-43(17-5-1)55-38-46-18-10-11-19-47(46)39-57(55)60(52-34-35-54-53-28-12-13-29-56(53)61(58(54)40-52)50-25-8-3-9-26-50)51-27-15-21-45(37-51)42-32-30-41(31-33-42)44-20-14-24-49(36-44)59-48-22-6-2-7-23-48/h1-40,59H.
What are the key properties of N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine?
N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine has a molecular weight of 779.99 g/mol, XLogP of 16.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine is sourced from PubChem (CID 177098641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).