N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine

C66H52N2 — CID 170304515

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C66H52N2/c1-66(48-25-7-3-8-26-48)59-35-15-11-30-53(59)54-41-39-47(43-60(54)66)51-29-12-16-36-61(51)68(50-40-42-64-58(44-50)56-32-14-18-38-63(56)67(64)49-27-9-4-10-28-49)62-37-17-13-31-55(62)57-34-20-24-46-23-19-33-52(65(46)57)45-21-5-2-6-22-45/h3-4,7-20,23-45H,2,5-6,21-22H2,1H3
InChIKeyRGQBVATUCCVAQJ-UHFFFAOYSA-N
MW873.16 g/mol
LogP18.12
Rot. Bonds8

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 170304515) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID170304515
Molecular FormulaC66H52N2
Molecular Weight873.16 g/mol
Exact Mass872.41
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C66H52N2/c1-66(48-25-7-3-8-26-48)59-35-15-11-30-53(59)54-41-39-47(43-60(54)66)51-29-12-16-36-61(51)68(50-40-42-64-58(44-50)56-32-14-18-38-63(56)67(64)49-27-9-4-10-28-49)62-37-17-13-31-55(62)57-34-20-24-46-23-19-33-52(65(46)57)45-21-5-2-6-22-45/h3-4,7-20,23-45H,2,5-6,21-22H2,1H3
InChIKeyRGQBVATUCCVAQJ-UHFFFAOYSA-N
XLogP18.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.16
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304414
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170304430
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304378
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
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]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304432
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine (CID 170304515) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is RGQBVATUCCVAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-66(48-25-7-3-8-26-48)59-35-15-11-30-53(59)54-41-39-47(43-60(54)66)51-29-12-16-36-61(51)68(50-40-42-64-58(44-50)56-32-14-18-38-63(56)67(64)49-27-9-4-10-28-49)62-37-17-13-31-55(62)57-34-20-24-46-23-19-33-52(65(46)57)45-21-5-2-6-22-45/h3-4,7-20,23-45H,2,5-6,21-22H2,1H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 873.16 g/mol, XLogP of 18.12, 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]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170304515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).