N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine

C54H51N — CID 168738866

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21
InChIInChI=1S/C54H51N/c1-54(2)51-28-23-42(46-18-10-16-36-13-8-9-17-45(36)46)32-50(51)47-27-26-44(34-52(47)54)55(43-24-21-38(22-25-43)48-30-35-19-20-41(48)29-35)53-33-40-15-7-6-14-39(40)31-49(53)37-11-4-3-5-12-37/h6-10,13-18,21-28,31-35,37,41,48H,3-5,11-12,19-20,29-30H2,1-2H3
InChIKeyGFLBBWYOFHMMJK-UHFFFAOYSA-N
MW714.01 g/mol
LogP15.39
Rot. Bonds6

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine (PubChem CID 168738866) has the molecular formula C54H51N and a molecular weight of 714.01 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
PubChem CID168738866
Molecular FormulaC54H51N
Molecular Weight714.01 g/mol
Exact Mass713.40
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21
InChIInChI=1S/C54H51N/c1-54(2)51-28-23-42(46-18-10-16-36-13-8-9-17-45(36)46)32-50(51)47-27-26-44(34-52(47)54)55(43-24-21-38(22-25-43)48-30-35-19-20-41(48)29-35)53-33-40-15-7-6-14-39(40)31-49(53)37-11-4-3-5-12-37/h6-10,13-18,21-28,31-35,37,41,48H,3-5,11-12,19-20,29-30H2,1-2H3
InChIKeyGFLBBWYOFHMMJK-UHFFFAOYSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.01
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168739049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-6-naphthalen-2-ylfluoren-2-amine
CID 168738752
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-[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-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-naphthalen-1-ylfluoren-2-amine
CID 168739061
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine
CID 168738546
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-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739428
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
CID 168739282
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-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 168739409

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine (CID 168738866) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The InChIKey is GFLBBWYOFHMMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N/c1-54(2)51-28-23-42(46-18-10-16-36-13-8-9-17-45(36)46)32-50(51)47-27-26-44(34-52(47)54)55(43-24-21-38(22-25-43)48-30-35-19-20-41(48)29-35)53-33-40-15-7-6-14-39(40)31-49(53)37-11-4-3-5-12-37/h6-10,13-18,21-28,31-35,37,41,48H,3-5,11-12,19-20,29-30H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine has a molecular weight of 714.01 g/mol, XLogP of 15.39, 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)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 168738866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).