N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine

C52H53N — CID 155467169

IUPACN-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1cccc(N(c2cccc(C3CCCCC3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C52H53N/c1-36-46(40-29-27-39(28-30-40)37-15-6-4-7-16-37)24-14-25-47(36)42-20-13-22-44(34-42)53(43-21-12-19-41(33-43)38-17-8-5-9-18-38)45-31-32-49-48-23-10-11-26-50(48)52(2,3)51(49)35-45/h10-14,19-35,37-38H,4-9,15-18H2,1-3H3
InChIKeyKKKYIMJAIIILAA-UHFFFAOYSA-N
MW692.00 g/mol
LogP15.20
Rot. Bonds7

About N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155467169) has the molecular formula C52H53N and a molecular weight of 692.00 g/mol. Its IUPAC name is N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155467169
Molecular FormulaC52H53N
Molecular Weight692.00 g/mol
Exact Mass691.42
IUPAC NameN-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1cccc(N(c2cccc(C3CCCCC3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C52H53N/c1-36-46(40-29-27-39(28-30-40)37-15-6-4-7-16-37)24-14-25-47(36)42-20-13-22-44(34-42)53(43-21-12-19-41(33-43)38-17-8-5-9-18-38)45-31-32-49-48-23-10-11-26-50(48)52(2,3)51(49)35-45/h10-14,19-35,37-38H,4-9,15-18H2,1-3H3
InChIKeyKKKYIMJAIIILAA-UHFFFAOYSA-N
XLogP15.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.00
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155466814
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157220198
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 155467169) is N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine is Cc1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1cccc(N(c2cccc(C3CCCCC3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is KKKYIMJAIIILAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53N/c1-36-46(40-29-27-39(28-30-40)37-15-6-4-7-16-37)24-14-25-47(36)42-20-13-22-44(34-42)53(43-21-12-19-41(33-43)38-17-8-5-9-18-38)45-31-32-49-48-23-10-11-26-50(48)52(2,3)51(49)35-45/h10-14,19-35,37-38H,4-9,15-18H2,1-3H3.
What are the key properties of N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 692.00 g/mol, XLogP of 15.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).