N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine

C52H51N — CID 168738530

IUPACN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C52H51N/c1-52(2)49-16-10-9-15-45(49)48-33-47(40-13-7-4-8-14-40)51(34-50(48)52)53(43-27-23-38(24-28-43)36-11-5-3-6-12-36)44-29-25-39(26-30-44)37-19-21-41(22-20-37)46-32-35-17-18-42(46)31-35/h4,7-10,13-16,19-30,33-36,42,46H,3,5-6,11-12,17-18,31-32H2,1-2H3
InChIKeyOAERCYOHGOOZAK-UHFFFAOYSA-N
MW689.99 g/mol
LogP14.75
Rot. Bonds7

About N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine (PubChem CID 168738530) has the molecular formula C52H51N and a molecular weight of 689.99 g/mol. Its IUPAC name is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
PubChem CID168738530
Molecular FormulaC52H51N
Molecular Weight689.99 g/mol
Exact Mass689.40
IUPAC NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C52H51N/c1-52(2)49-16-10-9-15-45(49)48-33-47(40-13-7-4-8-14-40)51(34-50(48)52)53(43-27-23-38(24-28-43)36-11-5-3-6-12-36)44-29-25-39(26-30-44)37-19-21-41(22-20-37)46-32-35-17-18-42(46)31-35/h4,7-10,13-16,19-30,33-36,42,46H,3,5-6,11-12,17-18,31-32H2,1-2H3
InChIKeyOAERCYOHGOOZAK-UHFFFAOYSA-N
XLogP14.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.99
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738962
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128
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]-N-(2-cyclohexylphenyl)-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738772
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738993
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-[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-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
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,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
CID 168739211

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine?
The IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine (CID 168738530) is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc21.
What is the InChIKey of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine?
The InChIKey is OAERCYOHGOOZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N/c1-52(2)49-16-10-9-15-45(49)48-33-47(40-13-7-4-8-14-40)51(34-50(48)52)53(43-27-23-38(24-28-43)36-11-5-3-6-12-36)44-29-25-39(26-30-44)37-19-21-41(22-20-37)46-32-35-17-18-42(46)31-35/h4,7-10,13-16,19-30,33-36,42,46H,3,5-6,11-12,17-18,31-32H2,1-2H3.
What are the key properties of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine?
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine has a molecular weight of 689.99 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine is sourced from PubChem (CID 168738530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).