7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one

C37H27NO — CID 138979063

IUPAC7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
SMILESO=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2
InChIKeyIPHWTRLKWZNLOA-UHFFFAOYSA-N
MW501.63 g/mol
LogP8.39
Rot. Bonds4

About 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one

7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one (PubChem CID 138979063) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one.

Molecular Properties

Compound Name7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
PubChem CID138979063
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
SMILESO=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2
InChIKeyIPHWTRLKWZNLOA-UHFFFAOYSA-N
XLogP8.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 140963936
CID 140963936
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CID 101463222
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene
CID 6432395
N-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 129133919
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
1-benzyl-5-bromo-3,3-difluoroindol-2-one
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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The IUPAC name of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one (CID 138979063) is 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one.
What is the SMILES notation for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The canonical SMILES for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one is O=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The InChIKey is IPHWTRLKWZNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2.
What are the key properties of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one has a molecular weight of 501.63 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one is sourced from PubChem (CID 138979063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).