N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline

C52H36N2 — CID 169016056

IUPACN,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)38-26-31-44(32-27-38)53(42-18-6-2-7-19-42)45-33-28-39(29-34-45)46-23-12-16-40-17-13-24-47(52(40)46)41-30-35-51-49(36-41)48-22-10-11-25-50(48)54(51)43-20-8-3-9-21-43/h1-36H
InChIKeyWAXCJWJBXNWKQL-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline

N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline (PubChem CID 169016056) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
PubChem CID169016056
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)38-26-31-44(32-27-38)53(42-18-6-2-7-19-42)45-33-28-39(29-34-45)46-23-12-16-40-17-13-24-47(52(40)46)41-30-35-51-49(36-41)48-22-10-11-25-50(48)54(51)43-20-8-3-9-21-43/h1-36H
InChIKeyWAXCJWJBXNWKQL-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline (CID 169016056) is N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The InChIKey is WAXCJWJBXNWKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-14-37(15-5-1)38-26-31-44(32-27-38)53(42-18-6-2-7-19-42)45-33-28-39(29-34-45)46-23-12-16-40-17-13-24-47(52(40)46)41-30-35-51-49(36-41)48-22-10-11-25-50(48)54(51)43-20-8-3-9-21-43/h1-36H.
What are the key properties of N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline is sourced from PubChem (CID 169016056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).