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

C50H49N — CID 168739049

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C50H49N/c1-50(2)48-27-22-39(44-17-9-13-35-12-6-7-16-43(35)44)31-47(48)45-26-25-42(32-49(45)50)51(41-15-8-14-37(30-41)34-10-4-3-5-11-34)40-23-20-36(21-24-40)46-29-33-18-19-38(46)28-33/h6-9,12-17,20-27,30-34,38,46H,3-5,10-11,18-19,28-29H2,1-2H3
InChIKeyDBEOFXYTUONTJU-UHFFFAOYSA-N
MW663.95 g/mol
LogP14.23
Rot. Bonds6

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine (PubChem CID 168739049) has the molecular formula C50H49N and a molecular weight of 663.95 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
PubChem CID168739049
Molecular FormulaC50H49N
Molecular Weight663.95 g/mol
Exact Mass663.39
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C50H49N/c1-50(2)48-27-22-39(44-17-9-13-35-12-6-7-16-43(35)44)31-47(48)45-26-25-42(32-49(45)50)51(41-15-8-14-37(30-41)34-10-4-3-5-11-34)40-23-20-36(21-24-40)46-29-33-18-19-38(46)28-33/h6-9,12-17,20-27,30-34,38,46H,3-5,10-11,18-19,28-29H2,1-2H3
InChIKeyDBEOFXYTUONTJU-UHFFFAOYSA-N
XLogP14.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.95
LogP ≤ 514.23
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-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168738866
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
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-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-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
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-[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-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 168738756

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine (CID 168739049) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-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-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
The InChIKey is DBEOFXYTUONTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N/c1-50(2)48-27-22-39(44-17-9-13-35-12-6-7-16-43(35)44)31-47(48)45-26-25-42(32-49(45)50)51(41-15-8-14-37(30-41)34-10-4-3-5-11-34)40-23-20-36(21-24-40)46-29-33-18-19-38(46)28-33/h6-9,12-17,20-27,30-34,38,46H,3-5,10-11,18-19,28-29H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine has a molecular weight of 663.95 g/mol, XLogP of 14.23, 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-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 168739049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).