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

C48H45N — CID 165384788

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C48H45N/c1-47(2)42-18-11-9-16-40(42)46-43(47)19-12-20-45(46)49(37-29-30-39-38-15-8-10-17-41(38)48(3,4)44(39)31-37)36-27-25-35(26-28-36)34-23-21-33(22-24-34)32-13-6-5-7-14-32/h8-12,15-32H,5-7,13-14H2,1-4H3
InChIKeyVUDKSNOOTVNMPC-UHFFFAOYSA-N
MW635.90 g/mol
LogP13.48
Rot. Bonds5

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

N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 165384788) has the molecular formula C48H45N and a molecular weight of 635.90 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID165384788
Molecular FormulaC48H45N
Molecular Weight635.90 g/mol
Exact Mass635.36
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C48H45N/c1-47(2)42-18-11-9-16-40(42)46-43(47)19-12-20-45(46)49(37-29-30-39-38-15-8-10-17-41(38)48(3,4)44(39)31-37)36-27-25-35(26-28-36)34-23-21-33(22-24-34)32-13-6-5-7-14-32/h8-12,15-32H,5-7,13-14H2,1-4H3
InChIKeyVUDKSNOOTVNMPC-UHFFFAOYSA-N
XLogP13.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
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-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
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
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 165384788) is N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VUDKSNOOTVNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N/c1-47(2)42-18-11-9-16-40(42)46-43(47)19-12-20-45(46)49(37-29-30-39-38-15-8-10-17-41(38)48(3,4)44(39)31-37)36-27-25-35(26-28-36)34-23-21-33(22-24-34)32-13-6-5-7-14-32/h8-12,15-32H,5-7,13-14H2,1-4H3.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 635.90 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 165384788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).