N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine

C51H46N2 — CID 176851034

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine
SMILESCC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C51H46N2/c1-51(2,3)53-47-16-10-9-15-44(47)45-29-23-39(33-49(45)53)35-19-25-41(26-20-35)52(42-27-21-37(22-28-42)46-32-34-17-18-40(46)31-34)48-30-24-36-11-7-8-14-43(36)50(48)38-12-5-4-6-13-38/h4-16,19-30,33-34,40,46H,17-18,31-32H2,1-3H3
InChIKeyQCXWVBSCQZAUOG-UHFFFAOYSA-N
MW686.94 g/mol
LogP14.41
Rot. Bonds6

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine (PubChem CID 176851034) has the molecular formula C51H46N2 and a molecular weight of 686.94 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine
PubChem CID176851034
Molecular FormulaC51H46N2
Molecular Weight686.94 g/mol
Exact Mass686.37
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine
SMILESCC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C51H46N2/c1-51(2,3)53-47-16-10-9-15-44(47)45-29-23-39(33-49(45)53)35-19-25-41(26-20-35)52(42-27-21-37(22-28-42)46-32-34-17-18-40(46)31-34)48-30-24-36-11-7-8-14-43(36)50(48)38-12-5-4-6-13-38/h4-16,19-30,33-34,40,46H,17-18,31-32H2,1-3H3
InChIKeyQCXWVBSCQZAUOG-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 176851039
4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 165165102
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 168738756
9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
CID 176850918
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611894
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-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 165165113
3-N-[3-(N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-1-yl)benzene-1,3-diamine
CID 177275920
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine (CID 176851034) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine is CC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine?
The InChIKey is QCXWVBSCQZAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N2/c1-51(2,3)53-47-16-10-9-15-44(47)45-29-23-39(33-49(45)53)35-19-25-41(26-20-35)52(42-27-21-37(22-28-42)46-32-34-17-18-40(46)31-34)48-30-24-36-11-7-8-14-43(36)50(48)38-12-5-4-6-13-38/h4-16,19-30,33-34,40,46H,17-18,31-32H2,1-3H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine has a molecular weight of 686.94 g/mol, XLogP of 14.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine is sourced from PubChem (CID 176851034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).