N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine

C44H51N — CID 170129564

IUPACN-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1CC2CC(C1)CC(C)(c1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1)C2
InChIInChI=1S/C44H51N/c1-30-23-31-25-32(24-30)29-44(4,28-31)35-13-10-14-37(26-35)45(36-19-17-34(18-20-36)33-11-6-5-7-12-33)38-21-22-40-39-15-8-9-16-41(39)43(2,3)42(40)27-38/h8-10,13-22,26-27,30-33H,5-7,11-12,23-25,28-29H2,1-4H3
InChIKeyVLYDJWTUUXDHEO-UHFFFAOYSA-N
MW593.90 g/mol
LogP12.61
Rot. Bonds5

About N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine

N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 170129564) has the molecular formula C44H51N and a molecular weight of 593.90 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID170129564
Molecular FormulaC44H51N
Molecular Weight593.90 g/mol
Exact Mass593.40
IUPAC NameN-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1CC2CC(C1)CC(C)(c1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1)C2
InChIInChI=1S/C44H51N/c1-30-23-31-25-32(24-30)29-44(4,28-31)35-13-10-14-37(26-35)45(36-19-17-34(18-20-36)33-11-6-5-7-12-33)38-21-22-40-39-15-8-9-16-41(39)43(2,3)42(40)27-38/h8-10,13-22,26-27,30-33H,5-7,11-12,23-25,28-29H2,1-4H3
InChIKeyVLYDJWTUUXDHEO-UHFFFAOYSA-N
XLogP12.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.90
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
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-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158527340

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 170129564) is N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1CC2CC(C1)CC(C)(c1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1)C2.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is VLYDJWTUUXDHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H51N/c1-30-23-31-25-32(24-30)29-44(4,28-31)35-13-10-14-37(26-35)45(36-19-17-34(18-20-36)33-11-6-5-7-12-33)38-21-22-40-39-15-8-9-16-41(39)43(2,3)42(40)27-38/h8-10,13-22,26-27,30-33H,5-7,11-12,23-25,28-29H2,1-4H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 593.90 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 170129564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).