2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine

C33H29NO4 — CID 70875912

IUPAC2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine
SMILESCOc1ccc2c(c1OC)CNc1c-2ccc2c(-c3ccc(-c4ccccc4)cc3)c(OC)c(OC)cc12
InChIInChI=1S/C33H29NO4/c1-35-28-17-16-23-25-15-14-24-26(31(25)34-19-27(23)32(28)37-3)18-29(36-2)33(38-4)30(24)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-18,34H,19H2,1-4H3
InChIKeyWEJCCEACSUEGTA-UHFFFAOYSA-N
MW503.60 g/mol
LogP7.80
Rot. Bonds6

About 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine

2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine (PubChem CID 70875912) has the molecular formula C33H29NO4 and a molecular weight of 503.60 g/mol. Its IUPAC name is 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine.

Molecular Properties

Compound Name2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine
PubChem CID70875912
Molecular FormulaC33H29NO4
Molecular Weight503.60 g/mol
Exact Mass503.21
IUPAC Name2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine
SMILESCOc1ccc2c(c1OC)CNc1c-2ccc2c(-c3ccc(-c4ccccc4)cc3)c(OC)c(OC)cc12
InChIInChI=1S/C33H29NO4/c1-35-28-17-16-23-25-15-14-24-26(31(25)34-19-27(23)32(28)37-3)18-29(36-2)33(38-4)30(24)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-18,34H,19H2,1-4H3
InChIKeyWEJCCEACSUEGTA-UHFFFAOYSA-N
XLogP7.80
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
5-bromo-N-[6,7-dimethoxy-5-(4-phenylphenyl)naphthalen-1-yl]-2-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-imine
CID 91418436
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
[2,3,7-trimethoxy-5-methyl-1-(4-phenylphenyl)benzo[c]phenanthridin-5-ium-8-yl]methanol
CID 58064977
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2,4-dimethoxy-3-phenylaniline
CID 165495221
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
1-[4-(2,6-dimethoxy-3-phenylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 42638415
[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium
CID 90897948

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine?
The IUPAC name of 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine (CID 70875912) is 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine.
What is the SMILES notation for 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine?
The canonical SMILES for 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine is COc1ccc2c(c1OC)CNc1c-2ccc2c(-c3ccc(-c4ccccc4)cc3)c(OC)c(OC)cc12.
What is the InChIKey of 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine?
The InChIKey is WEJCCEACSUEGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO4/c1-35-28-17-16-23-25-15-14-24-26(31(25)34-19-27(23)32(28)37-3)18-29(36-2)33(38-4)30(24)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-18,34H,19H2,1-4H3.
What are the key properties of 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine?
2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine has a molecular weight of 503.60 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethoxy-1-(4-phenylphenyl)-5,6-dihydrobenzo[c]phenanthridine is sourced from PubChem (CID 70875912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).