(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine

C28H23NO — CID 132566743

IUPAC(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine
SMILESCOc1ccc2c(c1)-c1cc(C)ccc1N=C(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C28H23NO/c1-19-13-16-26-25(17-19)24-18-22(30-2)14-15-23(24)27(20-9-5-3-6-10-20)28(29-26)21-11-7-4-8-12-21/h3-18,27H,1-2H3/t27-/m0/s1
InChIKeyBRRSHUBAMJLABB-MHZLTWQESA-N
MW389.50 g/mol
LogP6.94
Rot. Bonds3

About (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine

(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine (PubChem CID 132566743) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine.

Molecular Properties

Compound Name(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine
PubChem CID132566743
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine
SMILESCOc1ccc2c(c1)-c1cc(C)ccc1N=C(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C28H23NO/c1-19-13-16-26-25(17-19)24-18-22(30-2)14-15-23(24)27(20-9-5-3-6-10-20)28(29-26)21-11-7-4-8-12-21/h3-18,27H,1-2H3/t27-/m0/s1
InChIKeyBRRSHUBAMJLABB-MHZLTWQESA-N
XLogP6.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine?
The IUPAC name of (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine (CID 132566743) is (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine.
What is the SMILES notation for (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine?
The canonical SMILES for (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine is COc1ccc2c(c1)-c1cc(C)ccc1N=C(c1ccccc1)[C@H]2c1ccccc1.
What is the InChIKey of (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine?
The InChIKey is BRRSHUBAMJLABB-MHZLTWQESA-N. The full InChI is InChI=1S/C28H23NO/c1-19-13-16-26-25(17-19)24-18-22(30-2)14-15-23(24)27(20-9-5-3-6-10-20)28(29-26)21-11-7-4-8-12-21/h3-18,27H,1-2H3/t27-/m0/s1.
What are the key properties of (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine?
(7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine has a molecular weight of 389.50 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-10-methoxy-2-methyl-6,7-diphenyl-7H-benzo[d][1]benzazepine is sourced from PubChem (CID 132566743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).