N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline

C64H44N2 — CID 118087598

IUPACN-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-4-17-45(18-5-1)50-23-16-26-57(41-50)65(55-24-8-3-9-25-55)56-36-33-48(34-37-56)59-27-12-13-28-60(59)52-35-38-64-62(44-52)61-29-14-15-30-63(61)66(64)58-42-53(46-19-6-2-7-20-46)40-54(43-58)51-32-31-47-21-10-11-22-49(47)39-51/h1-44H
InChIKeyGUXAGUFJTWLYBT-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline

N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline (PubChem CID 118087598) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
PubChem CID118087598
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-4-17-45(18-5-1)50-23-16-26-57(41-50)65(55-24-8-3-9-25-55)56-36-33-48(34-37-56)59-27-12-13-28-60(59)52-35-38-64-62(44-52)61-29-14-15-30-63(61)66(64)58-42-53(46-19-6-2-7-20-46)40-54(43-58)51-32-31-47-21-10-11-22-49(47)39-51/h1-44H
InChIKeyGUXAGUFJTWLYBT-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
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
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
N-[3-[4-[6-[3-carbazol-9-yl-5-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-9-phenylcarbazol-2-yl]carbazol-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 163954431

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline?
The IUPAC name of N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline (CID 118087598) is N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline.
What is the SMILES notation for N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline?
The canonical SMILES for N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline?
The InChIKey is GUXAGUFJTWLYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-17-45(18-5-1)50-23-16-26-57(41-50)65(55-24-8-3-9-25-55)56-36-33-48(34-37-56)59-27-12-13-28-60(59)52-35-38-64-62(44-52)61-29-14-15-30-63(61)66(64)58-42-53(46-19-6-2-7-20-46)40-54(43-58)51-32-31-47-21-10-11-22-49(47)39-51/h1-44H.
What are the key properties of N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline?
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 118087598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).