N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

C62H48N2 — CID 170303290

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C62H48N2/c1-4-21-43(22-5-1)48-34-16-25-45-27-18-36-52(60(45)48)50-31-10-13-38-55(50)64(59-42-20-41-58-62(59)54-33-12-15-40-57(54)63(58)47-29-8-3-9-30-47)56-39-14-11-32-51(56)53-37-19-28-46-26-17-35-49(61(46)53)44-23-6-2-7-24-44/h1,3-5,8-22,25-42,44H,2,6-7,23-24H2
InChIKeyZTMAERSDYZZINV-UHFFFAOYSA-N
MW821.08 g/mol
LogP17.61
Rot. Bonds8

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (PubChem CID 170303290) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
PubChem CID170303290
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C62H48N2/c1-4-21-43(22-5-1)48-34-16-25-45-27-18-36-52(60(45)48)50-31-10-13-38-55(50)64(59-42-20-41-58-62(59)54-33-12-15-40-57(54)63(58)47-29-8-3-9-30-47)56-39-14-11-32-51(56)53-37-19-28-46-26-17-35-49(61(46)53)44-23-6-2-7-24-44/h1,3-5,8-22,25-42,44H,2,6-7,23-24H2
InChIKeyZTMAERSDYZZINV-UHFFFAOYSA-N
XLogP17.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299663
N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170297284
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304432

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (CID 170303290) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The InChIKey is ZTMAERSDYZZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-4-21-43(22-5-1)48-34-16-25-45-27-18-36-52(60(45)48)50-31-10-13-38-55(50)64(59-42-20-41-58-62(59)54-33-12-15-40-57(54)63(58)47-29-8-3-9-30-47)56-39-14-11-32-51(56)53-37-19-28-46-26-17-35-49(61(46)53)44-23-6-2-7-24-44/h1,3-5,8-22,25-42,44H,2,6-7,23-24H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine has a molecular weight of 821.08 g/mol, XLogP of 17.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is sourced from PubChem (CID 170303290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).