N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine

C51H49N — CID 168739242

IUPACN,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4ccccc34)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21
InChIInChI=1S/C51H49N/c1-51(2)48-13-6-5-11-44(48)50-47(43-12-7-9-34-8-3-4-10-42(34)43)30-41(31-49(50)51)52(39-22-18-35(19-23-39)45-28-32-14-16-37(45)26-32)40-24-20-36(21-25-40)46-29-33-15-17-38(46)27-33/h3-13,18-25,30-33,37-38,45-46H,14-17,26-29H2,1-2H3
InChIKeyQQHLLGIHAYGMLG-UHFFFAOYSA-N
MW675.96 g/mol
LogP14.09
Rot. Bonds6

About N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine

N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine (PubChem CID 168739242) has the molecular formula C51H49N and a molecular weight of 675.96 g/mol. Its IUPAC name is N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
PubChem CID168739242
Molecular FormulaC51H49N
Molecular Weight675.96 g/mol
Exact Mass675.39
IUPAC NameN,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4ccccc34)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21
InChIInChI=1S/C51H49N/c1-51(2)48-13-6-5-11-44(48)50-47(43-12-7-9-34-8-3-4-10-42(34)43)30-41(31-49(50)51)52(39-22-18-35(19-23-39)45-28-32-14-16-37(45)26-32)40-24-20-36(21-25-40)46-29-33-15-17-38(46)27-33/h3-13,18-25,30-33,37-38,45-46H,14-17,26-29H2,1-2H3
InChIKeyQQHLLGIHAYGMLG-UHFFFAOYSA-N
XLogP14.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.96
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-naphthalen-1-yl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176364
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[2.2.1]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-4-(2-phenylphenyl)fluoren-2-amine
CID 168739443
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(6-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-4-naphthalen-2-ylfluoren-2-amine
CID 168739003
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739428
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-naphthalen-1-ylfluoren-2-amine
CID 168738960
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168738505
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine (CID 168739242) is N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3cccc4ccccc34)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21.
What is the InChIKey of N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine?
The InChIKey is QQHLLGIHAYGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N/c1-51(2)48-13-6-5-11-44(48)50-47(43-12-7-9-34-8-3-4-10-42(34)43)30-41(31-49(50)51)52(39-22-18-35(19-23-39)45-28-32-14-16-37(45)26-32)40-24-20-36(21-25-40)46-29-33-15-17-38(46)27-33/h3-13,18-25,30-33,37-38,45-46H,14-17,26-29H2,1-2H3.
What are the key properties of N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine?
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine has a molecular weight of 675.96 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 168739242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).