N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine

C50H49N — CID 168738524

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H49N/c1-50(2)46-19-11-18-40(36-14-7-4-8-15-36)49(46)44-27-26-39(32-47(44)50)51(38-24-22-35(23-25-38)34-12-5-3-6-13-34)48-29-28-42(41-16-9-10-17-43(41)48)45-31-33-20-21-37(45)30-33/h4,7-11,14-19,22-29,32-34,37,45H,3,5-6,12-13,20-21,30-31H2,1-2H3
InChIKeyWLNGBSWACMBOOG-UHFFFAOYSA-N
MW663.95 g/mol
LogP14.23
Rot. Bonds6

About N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine (PubChem CID 168738524) has the molecular formula C50H49N and a molecular weight of 663.95 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
PubChem CID168738524
Molecular FormulaC50H49N
Molecular Weight663.95 g/mol
Exact Mass663.39
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H49N/c1-50(2)46-19-11-18-40(36-14-7-4-8-15-36)49(46)44-27-26-39(32-47(44)50)51(38-24-22-35(23-25-38)34-12-5-3-6-13-34)48-29-28-42(41-16-9-10-17-43(41)48)45-31-33-20-21-37(45)30-33/h4,7-11,14-19,22-29,32-34,37,45H,3,5-6,12-13,20-21,30-31H2,1-2H3
InChIKeyWLNGBSWACMBOOG-UHFFFAOYSA-N
XLogP14.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.95
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738800
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(4-phenylphenyl)fluoren-2-amine
CID 168739230
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738817
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-[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-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 168739125
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine (CID 168738524) is N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The InChIKey is WLNGBSWACMBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N/c1-50(2)46-19-11-18-40(36-14-7-4-8-15-36)49(46)44-27-26-39(32-47(44)50)51(38-24-22-35(23-25-38)34-12-5-3-6-13-34)48-29-28-42(41-16-9-10-17-43(41)48)45-31-33-20-21-37(45)30-33/h4,7-11,14-19,22-29,32-34,37,45H,3,5-6,12-13,20-21,30-31H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine has a molecular weight of 663.95 g/mol, XLogP of 14.23, 6 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)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine is sourced from PubChem (CID 168738524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).