N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine

C64H67N — CID 155466814

IUPACN-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1-c1cccc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c1
InChIInChI=1S/C64H67N/c1-44-37-57(33-35-59(44)52-26-16-25-51(39-52)55-41-53(46-19-9-5-10-20-46)40-54(42-55)47-21-11-6-12-22-47)65(58-34-36-61-60-27-13-14-28-62(60)64(2,3)63(61)43-58)56-31-29-48(30-32-56)50-24-15-23-49(38-50)45-17-7-4-8-18-45/h13-16,23-43,45-47H,4-12,17-22H2,1-3H3
InChIKeyCRXYZRROKDCQBG-UHFFFAOYSA-N
MW850.25 g/mol
LogP18.92
Rot. Bonds9

About N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine

N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155466814) has the molecular formula C64H67N and a molecular weight of 850.25 g/mol. Its IUPAC name is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155466814
Molecular FormulaC64H67N
Molecular Weight850.25 g/mol
Exact Mass849.53
IUPAC NameN-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1-c1cccc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c1
InChIInChI=1S/C64H67N/c1-44-37-57(33-35-59(44)52-26-16-25-51(39-52)55-41-53(46-19-9-5-10-20-46)40-54(42-55)47-21-11-6-12-22-47)65(58-34-36-61-60-27-13-14-28-62(60)64(2,3)63(61)43-58)56-31-29-48(30-32-56)50-24-15-23-49(38-50)45-17-7-4-8-18-45/h13-16,23-43,45-47H,4-12,17-22H2,1-3H3
InChIKeyCRXYZRROKDCQBG-UHFFFAOYSA-N
XLogP18.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.25
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467065
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[3-tert-butyl-5-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157479942
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-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 155467421
N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467169
N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 155466824

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine (CID 155466814) is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine is Cc1cc(N(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1-c1cccc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c1.
What is the InChIKey of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is CRXYZRROKDCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H67N/c1-44-37-57(33-35-59(44)52-26-16-25-51(39-52)55-41-53(46-19-9-5-10-20-46)40-54(42-55)47-21-11-6-12-22-47)65(58-34-36-61-60-27-13-14-28-62(60)64(2,3)63(61)43-58)56-31-29-48(30-32-56)50-24-15-23-49(38-50)45-17-7-4-8-18-45/h13-16,23-43,45-47H,4-12,17-22H2,1-3H3.
What are the key properties of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 850.25 g/mol, XLogP of 18.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155466814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).