N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine

C61H50N2 — CID 170304397

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C61H50N2/c1-61(2)54-30-12-9-24-49(54)50-39-38-46(40-55(50)61)62(56-31-13-10-25-51(56)52-29-16-21-43-20-15-27-47(59(43)52)41-18-5-3-6-19-41)45-36-34-42(35-37-45)48-28-17-33-58-60(48)53-26-11-14-32-57(53)63(58)44-22-7-4-8-23-44/h4,7-17,20-41H,3,5-6,18-19H2,1-2H3
InChIKeyLXYGYDWGCHDZJK-UHFFFAOYSA-N
MW811.09 g/mol
LogP17.09
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine (PubChem CID 170304397) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
PubChem CID170304397
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C61H50N2/c1-61(2)54-30-12-9-24-49(54)50-39-38-46(40-55(50)61)62(56-31-13-10-25-51(56)52-29-16-21-43-20-15-27-47(59(43)52)41-18-5-3-6-19-41)45-36-34-42(35-37-45)48-28-17-33-58-60(48)53-26-11-14-32-57(53)63(58)44-22-7-4-8-23-44/h4,7-17,20-41H,3,5-6,18-19H2,1-2H3
InChIKeyLXYGYDWGCHDZJK-UHFFFAOYSA-N
XLogP17.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304432
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304378
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170304430
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 170304515
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]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine (CID 170304397) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine?
The InChIKey is LXYGYDWGCHDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-61(2)54-30-12-9-24-49(54)50-39-38-46(40-55(50)61)62(56-31-13-10-25-51(56)52-29-16-21-43-20-15-27-47(59(43)52)41-18-5-3-6-19-41)45-36-34-42(35-37-45)48-28-17-33-58-60(48)53-26-11-14-32-57(53)63(58)44-22-7-4-8-23-44/h4,7-17,20-41H,3,5-6,18-19H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine has a molecular weight of 811.09 g/mol, XLogP of 17.09, 7 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]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170304397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).