N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine

C49H51N — CID 170543143

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C49H51N/c1-48(2)44-27-26-40-39-12-8-9-13-43(39)49(3,4)47(40)46(44)41-25-24-38(30-45(41)48)50(36-20-16-33(17-21-36)32-10-6-5-7-11-32)37-22-18-34(19-23-37)42-29-31-14-15-35(42)28-31/h8-9,12-13,16-27,30-32,35,42H,5-7,10-11,14-15,28-29H2,1-4H3
InChIKeyWWXBJXYNDSSADO-UHFFFAOYSA-N
MW653.95 g/mol
LogP13.72
Rot. Bonds5

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine (PubChem CID 170543143) has the molecular formula C49H51N and a molecular weight of 653.95 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
PubChem CID170543143
Molecular FormulaC49H51N
Molecular Weight653.95 g/mol
Exact Mass653.40
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C49H51N/c1-48(2)44-27-26-40-39-12-8-9-13-43(39)49(3,4)47(40)46(44)41-25-24-38(30-45(41)48)50(36-20-16-33(17-21-36)32-10-6-5-7-11-32)37-22-18-34(19-23-37)42-29-31-14-15-35(42)28-31/h8-9,12-13,16-27,30-32,35,42H,5-7,10-11,14-15,28-29H2,1-4H3
InChIKeyWWXBJXYNDSSADO-UHFFFAOYSA-N
XLogP13.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.95
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168739394
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine (CID 170543143) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine?
The InChIKey is WWXBJXYNDSSADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51N/c1-48(2)44-27-26-40-39-12-8-9-13-43(39)49(3,4)47(40)46(44)41-25-24-38(30-45(41)48)50(36-20-16-33(17-21-36)32-10-6-5-7-11-32)37-22-18-34(19-23-37)42-29-31-14-15-35(42)28-31/h8-9,12-13,16-27,30-32,35,42H,5-7,10-11,14-15,28-29H2,1-4H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine has a molecular weight of 653.95 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine is sourced from PubChem (CID 170543143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).