N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine

C59H42N2 — CID 177128347

IUPACN-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESCc1cccc2c1c1ccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C59H42N2/c1-41-17-16-28-55-58(41)53-37-35-50(40-57(53)61(55)48-25-12-5-13-26-48)60(56-38-32-44-22-14-15-27-52(44)59(56)46-23-10-4-11-24-46)49-33-29-45(30-34-49)54-39-47(42-18-6-2-7-19-42)31-36-51(54)43-20-8-3-9-21-43/h2-40H,1H3
InChIKeyCEYMVOCSQIJYJZ-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.38
Rot. Bonds8

About N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine

N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine (PubChem CID 177128347) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
PubChem CID177128347
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
SMILESCc1cccc2c1c1ccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C59H42N2/c1-41-17-16-28-55-58(41)53-37-35-50(40-57(53)61(55)48-25-12-5-13-26-48)60(56-38-32-44-22-14-15-27-52(44)59(56)46-23-10-4-11-24-46)49-33-29-45(30-34-49)54-39-47(42-18-6-2-7-19-42)31-36-51(54)43-20-8-3-9-21-43/h2-40H,1H3
InChIKeyCEYMVOCSQIJYJZ-UHFFFAOYSA-N
XLogP16.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128321
N-[4-(2,4-diphenylphenyl)phenyl]-5,7-dimethyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128376
N-(3,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)-9-(4-phenylphenyl)carbazol-2-amine
CID 177128422
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-(2,3-diphenylphenyl)-9-phenyl-N-(6-phenylnaphthalen-2-yl)carbazol-2-amine
CID 165394959
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048517
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine (CID 177128347) is N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine.
What is the SMILES notation for N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The canonical SMILES for N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine is Cc1cccc2c1c1ccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3)cc1n2-c1ccccc1.
What is the InChIKey of N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
The InChIKey is CEYMVOCSQIJYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-41-17-16-28-55-58(41)53-37-35-50(40-57(53)61(55)48-25-12-5-13-26-48)60(56-38-32-44-22-14-15-27-52(44)59(56)46-23-10-4-11-24-46)49-33-29-45(30-34-49)54-39-47(42-18-6-2-7-19-42)31-36-51(54)43-20-8-3-9-21-43/h2-40H,1H3.
What are the key properties of N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine?
N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine has a molecular weight of 779.00 g/mol, XLogP of 16.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine is sourced from PubChem (CID 177128347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).