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

C54H51N — CID 168738546

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)c(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C54H51N/c1-54(2)49-19-11-10-18-45(49)46-28-29-50(52(53(46)54)43-23-22-36-12-6-7-15-39(36)32-43)55(44-26-24-38(25-27-44)47-31-35-20-21-42(47)30-35)51-34-41-17-9-8-16-40(41)33-48(51)37-13-4-3-5-14-37/h6-12,15-19,22-29,32-35,37,42,47H,3-5,13-14,20-21,30-31H2,1-2H3
InChIKeyQRMARGTYSLMDBL-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-1-naphthalen-2-ylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine (PubChem CID 168738546) 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-1-naphthalen-2-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine
PubChem CID168738546
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-1-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)c(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C54H51N/c1-54(2)49-19-11-10-18-45(49)46-28-29-50(52(53(46)54)43-23-22-36-12-6-7-15-39(36)32-43)55(44-26-24-38(25-27-44)47-31-35-20-21-42(47)30-35)51-34-41-17-9-8-16-40(41)33-48(51)37-13-4-3-5-14-37/h6-12,15-19,22-29,32-35,37,42,47H,3-5,13-14,20-21,30-31H2,1-2H3
InChIKeyQRMARGTYSLMDBL-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-[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-1-phenylfluoren-2-amine
CID 168738478
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-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168738866
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
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-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168738645
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]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739187
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
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

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-1-naphthalen-2-ylfluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-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-1-naphthalen-2-ylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)c(-c3ccc4ccccc4c3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine?
The InChIKey is QRMARGTYSLMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N/c1-54(2)49-19-11-10-18-45(49)46-28-29-50(52(53(46)54)43-23-22-36-12-6-7-15-39(36)32-43)55(44-26-24-38(25-27-44)47-31-35-20-21-42(47)30-35)51-34-41-17-9-8-16-40(41)33-48(51)37-13-4-3-5-14-37/h6-12,15-19,22-29,32-35,37,42,47H,3-5,13-14,20-21,30-31H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-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-1-naphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 168738546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).