9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C26H23N — CID 143966574

IUPAC9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(C2CNCCc3c(-c4ccc5ccccc5c4)cccc32)cc1
InChIInChI=1S/C26H23N/c1-2-8-20(9-3-1)26-18-27-16-15-25-23(11-6-12-24(25)26)22-14-13-19-7-4-5-10-21(19)17-22/h1-14,17,26-27H,15-16,18H2
InChIKeyVXMKVEKOUMPBDX-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.78
Rot. Bonds2

About 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 143966574) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID143966574
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(C2CNCCc3c(-c4ccc5ccccc5c4)cccc32)cc1
InChIInChI=1S/C26H23N/c1-2-8-20(9-3-1)26-18-27-16-15-25-23(11-6-12-24(25)26)22-14-13-19-7-4-5-10-21(19)17-22/h1-14,17,26-27H,15-16,18H2
InChIKeyVXMKVEKOUMPBDX-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22397013
(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 10037257
(5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
CID 118987331
9-ethyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
CID 20529930
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-(2-methyl-3H-inden-4-yl)naphthalene
CID 158464529
2-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
2-(9H-fluoren-1-yl)anthracene
CID 151119003
2-(2-propan-2-yl-3H-inden-4-yl)naphthalene
CID 91423371
3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3439346

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 143966574) is 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is c1ccc(C2CNCCc3c(-c4ccc5ccccc5c4)cccc32)cc1.
What is the InChIKey of 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is VXMKVEKOUMPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-2-8-20(9-3-1)26-18-27-16-15-25-23(11-6-12-24(25)26)22-14-13-19-7-4-5-10-21(19)17-22/h1-14,17,26-27H,15-16,18H2.
What are the key properties of 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 349.48 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 143966574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).