2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine

C27H24N2 — CID 142196308

IUPAC2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine
SMILESCC1=Nc2c(ccc3c(-c4ccccc4)cc(C)nc23)C(c2ccccc2)CC1
InChIInChI=1S/C27H24N2/c1-18-13-14-22(20-9-5-3-6-10-20)23-15-16-24-25(21-11-7-4-8-12-21)17-19(2)29-27(24)26(23)28-18/h3-12,15-17,22H,13-14H2,1-2H3
InChIKeyZMHBPXRNOOKZJC-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.23
Rot. Bonds2

About 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine

2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine (PubChem CID 142196308) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine.

Molecular Properties

Compound Name2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine
PubChem CID142196308
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine
SMILESCC1=Nc2c(ccc3c(-c4ccccc4)cc(C)nc23)C(c2ccccc2)CC1
InChIInChI=1S/C27H24N2/c1-18-13-14-22(20-9-5-3-6-10-20)23-15-16-24-25(21-11-7-4-8-12-21)17-19(2)29-27(24)26(23)28-18/h3-12,15-17,22H,13-14H2,1-2H3
InChIKeyZMHBPXRNOOKZJC-UHFFFAOYSA-N
XLogP7.23
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine?
The IUPAC name of 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine (CID 142196308) is 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine.
What is the SMILES notation for 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine?
The canonical SMILES for 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine is CC1=Nc2c(ccc3c(-c4ccccc4)cc(C)nc23)C(c2ccccc2)CC1.
What is the InChIKey of 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine?
The InChIKey is ZMHBPXRNOOKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-18-13-14-22(20-9-5-3-6-10-20)23-15-16-24-25(21-11-7-4-8-12-21)17-19(2)29-27(24)26(23)28-18/h3-12,15-17,22H,13-14H2,1-2H3.
What are the key properties of 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine?
2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine has a molecular weight of 376.50 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine is sourced from PubChem (CID 142196308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).