N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine

C52H49N — CID 171740912

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cc4ccccc4cc3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C52H49N/c1-35(2)45-20-13-21-48-51(45)46-31-30-44(34-49(46)52(48,3)4)53(50-33-42-19-12-11-18-41(42)32-47(50)40-16-9-6-10-17-40)43-28-26-39(27-29-43)38-24-22-37(23-25-38)36-14-7-5-8-15-36/h6,9-13,16-36H,5,7-8,14-15H2,1-4H3
InChIKeyBXYGQVRFCBAHFN-UHFFFAOYSA-N
MW687.97 g/mol
LogP15.12
Rot. Bonds7

About N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine

N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine (PubChem CID 171740912) has the molecular formula C52H49N and a molecular weight of 687.97 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
PubChem CID171740912
Molecular FormulaC52H49N
Molecular Weight687.97 g/mol
Exact Mass687.39
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cc4ccccc4cc3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C52H49N/c1-35(2)45-20-13-21-48-51(45)46-31-30-44(34-49(46)52(48,3)4)53(50-33-42-19-12-11-18-41(42)32-47(50)40-16-9-6-10-17-40)43-28-26-39(27-29-43)38-24-22-37(23-25-38)36-14-7-5-8-15-36/h6,9-13,16-36H,5,7-8,14-15H2,1-4H3
InChIKeyBXYGQVRFCBAHFN-UHFFFAOYSA-N
XLogP15.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.97
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-5-propan-2-ylfluoren-2-amine
CID 171740959
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
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-(3-cyclohexylnaphthalen-2-yl)phenyl]-5,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171740788
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
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-(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-3,7-diphenylfluoren-2-amine
CID 168738709

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine (CID 171740912) is N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine is CC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cc4ccccc4cc3-c3ccccc3)cc1C2(C)C.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine?
The InChIKey is BXYGQVRFCBAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49N/c1-35(2)45-20-13-21-48-51(45)46-31-30-44(34-49(46)52(48,3)4)53(50-33-42-19-12-11-18-41(42)32-47(50)40-16-9-6-10-17-40)43-28-26-39(27-29-43)38-24-22-37(23-25-38)36-14-7-5-8-15-36/h6,9-13,16-36H,5,7-8,14-15H2,1-4H3.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine?
N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine has a molecular weight of 687.97 g/mol, XLogP of 15.12, 7 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]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine is sourced from PubChem (CID 171740912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).