1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine

C27H23NO2 — CID 70026573

IUPAC1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc2c1-c1ccc(N(C)c3ccccc3)cc1C(c1ccccc1)O2
InChIInChI=1S/C27H23NO2/c1-28(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)30-25-15-9-14-24(29-2)26(22)25/h3-18,27H,1-2H3
InChIKeyBLDZGDZMDASTKF-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.61
Rot. Bonds4

About 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine

1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine (PubChem CID 70026573) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
PubChem CID70026573
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc2c1-c1ccc(N(C)c3ccccc3)cc1C(c1ccccc1)O2
InChIInChI=1S/C27H23NO2/c1-28(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)30-25-15-9-14-24(29-2)26(22)25/h3-18,27H,1-2H3
InChIKeyBLDZGDZMDASTKF-UHFFFAOYSA-N
XLogP6.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine (CID 70026573) is 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine is COc1cccc2c1-c1ccc(N(C)c3ccccc3)cc1C(c1ccccc1)O2.
What is the InChIKey of 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is BLDZGDZMDASTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-28(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)30-25-15-9-14-24(29-2)26(22)25/h3-18,27H,1-2H3.
What are the key properties of 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 393.49 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 70026573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).