11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine

C26H22N2O3 — CID 11260750

IUPAC11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC
InChIInChI=1S/C26H22N2O3/c1-29-21-14-23(31-3)22(30-2)13-19(21)20-12-15-8-4-5-9-16(15)25-24(20)17-10-6-7-11-18(17)26(27)28-25/h4-14H,1-3H3,(H2,27,28)
InChIKeyJXKVVMYROXAPTL-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.82
Rot. Bonds4

About 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine

11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (PubChem CID 11260750) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
PubChem CID11260750
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC
InChIInChI=1S/C26H22N2O3/c1-29-21-14-23(31-3)22(30-2)13-19(21)20-12-15-8-4-5-9-16(15)25-24(20)17-10-6-7-11-18(17)26(27)28-25/h4-14H,1-3H3,(H2,27,28)
InChIKeyJXKVVMYROXAPTL-UHFFFAOYSA-N
XLogP5.82
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11361877
11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine
CID 11280154
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
1-methoxyanthracen-9-amine
CID 23131408
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1-(4-ethylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 13440491
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539

Frequently Asked Questions

What is the IUPAC name of 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The IUPAC name of 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (CID 11260750) is 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.
What is the SMILES notation for 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The canonical SMILES for 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is COc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC.
What is the InChIKey of 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The InChIKey is JXKVVMYROXAPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-29-21-14-23(31-3)22(30-2)13-19(21)20-12-15-8-4-5-9-16(15)25-24(20)17-10-6-7-11-18(17)26(27)28-25/h4-14H,1-3H3,(H2,27,28).
What are the key properties of 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine has a molecular weight of 410.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11260750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).