N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine

C50H34N2 — CID 169016163

IUPACN-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2/c1-3-18-39(19-4-1)51(42-33-28-35-14-7-8-15-38(35)34-42)41-31-29-36(30-32-41)43-23-11-16-37-17-12-24-44(49(37)43)45-25-13-27-48-50(45)46-22-9-10-26-47(46)52(48)40-20-5-2-6-21-40/h1-34H
InChIKeyWVAMJYPNFRPYIE-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine (PubChem CID 169016163) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
PubChem CID169016163
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2/c1-3-18-39(19-4-1)51(42-33-28-35-14-7-8-15-38(35)34-42)41-31-29-36(30-32-41)43-23-11-16-37-17-12-24-44(49(37)43)45-25-13-27-48-50(45)46-22-9-10-26-47(46)52(48)40-20-5-2-6-21-40/h1-34H
InChIKeyWVAMJYPNFRPYIE-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412375
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167410562
N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177101101
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 169010481

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine (CID 169016163) is N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine is c1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c34)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine?
The InChIKey is WVAMJYPNFRPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-18-39(19-4-1)51(42-33-28-35-14-7-8-15-38(35)34-42)41-31-29-36(30-32-41)43-23-11-16-37-17-12-24-44(49(37)43)45-25-13-27-48-50(45)46-22-9-10-26-47(46)52(48)40-20-5-2-6-21-40/h1-34H.
What are the key properties of N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 169016163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).