N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline

C64H43N3 — CID 59501688

IUPACN-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C64H43N3/c1-3-15-52(16-4-1)65(55-35-37-56(38-36-55)67-61-21-11-9-19-57(61)58-20-10-12-22-62(58)67)54-33-29-47(30-34-54)51-32-40-64-60(43-51)59-42-50(31-39-63(59)66(64)53-17-5-2-6-18-53)46-25-23-45(24-26-46)49-28-27-44-13-7-8-14-48(44)41-49/h1-43H
InChIKeyIVEHYMVMPJASSP-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.50
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline (PubChem CID 59501688) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
PubChem CID59501688
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C64H43N3/c1-3-15-52(16-4-1)65(55-35-37-56(38-36-55)67-61-21-11-9-19-57(61)58-20-10-12-22-62(58)67)54-33-29-47(30-34-54)51-32-40-64-60(43-51)59-42-50(31-39-63(59)66(64)53-17-5-2-6-18-53)46-25-23-45(24-26-46)49-28-27-44-13-7-8-14-48(44)41-49/h1-43H
InChIKeyIVEHYMVMPJASSP-UHFFFAOYSA-N
XLogP17.50
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
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-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N,4-diphenyl-N-[4-[7-(9-phenylcarbazol-3-yl)pyren-2-yl]phenyl]aniline
CID 90164565

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline (CID 59501688) is N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline?
The InChIKey is IVEHYMVMPJASSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-3-15-52(16-4-1)65(55-35-37-56(38-36-55)67-61-21-11-9-19-57(61)58-20-10-12-22-62(58)67)54-33-29-47(30-34-54)51-32-40-64-60(43-51)59-42-50(31-39-63(59)66(64)53-17-5-2-6-18-53)46-25-23-45(24-26-46)49-28-27-44-13-7-8-14-48(44)41-49/h1-43H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline has a molecular weight of 854.07 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline is sourced from PubChem (CID 59501688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).