N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine

C56H53N — CID 168739443

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)cc21
InChIInChI=1S/C56H53N/c1-56(2)53-20-12-11-19-50(53)55-52(49-18-10-9-17-48(49)40-15-7-4-8-16-40)35-47(36-54(55)56)57(45-28-26-41(27-29-45)51-32-37-21-22-43(51)31-37)46-30-25-39-23-24-42(33-44(39)34-46)38-13-5-3-6-14-38/h4,7-12,15-20,23-30,33-38,43,51H,3,5-6,13-14,21-22,31-32H2,1-2H3
InChIKeyUPOYDYCDDNJEPX-UHFFFAOYSA-N
MW740.05 g/mol
LogP15.90
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine (PubChem CID 168739443) has the molecular formula C56H53N and a molecular weight of 740.05 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
PubChem CID168739443
Molecular FormulaC56H53N
Molecular Weight740.05 g/mol
Exact Mass739.42
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)cc21
InChIInChI=1S/C56H53N/c1-56(2)53-20-12-11-19-50(53)55-52(49-18-10-9-17-48(49)40-15-7-4-8-16-40)35-47(36-54(55)56)57(45-28-26-41(27-29-45)51-32-37-21-22-43(51)31-37)46-30-25-39-23-24-42(33-44(39)34-46)38-13-5-3-6-14-38/h4,7-12,15-20,23-30,33-38,43,51H,3,5-6,13-14,21-22,31-32H2,1-2H3
InChIKeyUPOYDYCDDNJEPX-UHFFFAOYSA-N
XLogP15.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.05
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 168739125
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]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
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-4,7-diphenylfluoren-2-amine
CID 168739032
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)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
CID 168739242
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccccc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is UPOYDYCDDNJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N/c1-56(2)53-20-12-11-19-50(53)55-52(49-18-10-9-17-48(49)40-15-7-4-8-16-40)35-47(36-54(55)56)57(45-28-26-41(27-29-45)51-32-37-21-22-43(51)31-37)46-30-25-39-23-24-42(33-44(39)34-46)38-13-5-3-6-14-38/h4,7-12,15-20,23-30,33-38,43,51H,3,5-6,13-14,21-22,31-32H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 740.05 g/mol, XLogP of 15.90, 7 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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168739443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).