N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine

C58H39N3 — CID 155004375

IUPACN-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c5ccccc5n(-c5ccc(-c6ccccc6)c6ccccc56)c34)cc2)cc1
InChIInChI=1S/C58H39N3/c1-4-17-40(18-5-1)41-31-33-44(34-32-41)59(45-35-36-51-49-25-12-14-28-53(49)60(57(51)39-45)43-21-8-3-9-22-43)56-30-16-27-52-50-26-13-15-29-54(50)61(58(52)56)55-38-37-46(42-19-6-2-7-20-42)47-23-10-11-24-48(47)55/h1-39H
InChIKeyZDZPKASKXJZAQY-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine

N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 155004375) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID155004375
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c5ccccc5n(-c5ccc(-c6ccccc6)c6ccccc56)c34)cc2)cc1
InChIInChI=1S/C58H39N3/c1-4-17-40(18-5-1)41-31-33-44(34-32-41)59(45-35-36-51-49-25-12-14-28-53(49)60(57(51)39-45)43-21-8-3-9-22-43)56-30-16-27-52-50-26-13-15-29-54(50)61(58(52)56)55-38-37-46(42-19-6-2-7-20-42)47-23-10-11-24-48(47)55/h1-39H
InChIKeyZDZPKASKXJZAQY-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylnaphthalen-1-yl)-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 89213110
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 89212986
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924

Frequently Asked Questions

What is the IUPAC name of N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine (CID 155004375) is N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c5ccccc5n(-c5ccc(-c6ccccc6)c6ccccc56)c34)cc2)cc1.
What is the InChIKey of N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is ZDZPKASKXJZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-4-17-40(18-5-1)41-31-33-44(34-32-41)59(45-35-36-51-49-25-12-14-28-53(49)60(57(51)39-45)43-21-8-3-9-22-43)56-30-16-27-52-50-26-13-15-29-54(50)61(58(52)56)55-38-37-46(42-19-6-2-7-20-42)47-23-10-11-24-48(47)55/h1-39H.
What are the key properties of N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine?
N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 155004375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).