6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine

C154H115N8O2P — CID 161409494

About 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine

6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine (PubChem CID 161409494) has the molecular formula C154H115N8O2P and a molecular weight of 2140.64 g/mol. Its IUPAC name is 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine.

Molecular Properties

• Compound Name: 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine
• PubChem CID: 161409494
• Molecular Formula: C154H115N8O2P
• Molecular Weight: 2140.64 g/mol
• Exact Mass: 2138.89
• IUPAC Name: 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine
• SMILES: CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1.COc1ccc(-c2cc3ccccc3c3c2cnc2ccccc23)cc1.COc1cccc(-c2cc3ccccc3c3c2cnc2ccccc23)c1.Cc1ccc(-c2cc3ccccc3c3c2cnc2ccccc23)cc1.c1ccc(-c2c3c(c(-c4nc5ccccc5c5c4ccc4ccccc45)p2-c2ccccc2)CCCC3)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cc1
• InChI: InChI=1S/C37H28NP.2C24H17NO.C24H17N.C23H15N.C22H21N3/c1-3-14-26(15-4-1)36-29-19-9-10-20-30(29)37(39(36)27-16-5-2-6-17-27)35-32-24-23-25-13-7-8-18-28(25)34(32)31-21-11-12-22-33(31)38-35;1-26-18-9-6-8-16(13-18)21-14-17-7-2-3-10-19(17)24-20-11-4-5-12-23(20)25-15-22(21)24;1-26-18-12-10-16(11-13-18)21-14-17-6-2-3-7-19(17)24-20-8-4-5-9-23(20)25-15-22(21)24;1-16-10-12-17(13-11-16)21-14-18-6-2-3-7-19(18)24-20-8-4-5-9-23(20)25-15-22(21)24;1-2-9-17(10-3-1)23-20-15-14-16-8-4-5-11-18(16)22(20)19-12-6-7-13-21(19)24-23;1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h1-8,11-18,21-24H,9-10,19-20H2;2*2-15H,1H3;2-15H,1H3;1-15H;2-11H,12-15H2,1H3
• InChIKey: VVGYEXSQKVOSDY-UHFFFAOYSA-N
• XLogP: 40.18
• TPSA: 102.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2140.64
LogP ≤ 5	40.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine?

The IUPAC name of 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine (CID 161409494) is 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine.

What is the SMILES notation for 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine?

The canonical SMILES for 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine is CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1.COc1ccc(-c2cc3ccccc3c3c2cnc2ccccc23)cc1.COc1cccc(-c2cc3ccccc3c3c2cnc2ccccc23)c1.Cc1ccc(-c2cc3ccccc3c3c2cnc2ccccc23)cc1.c1ccc(-c2c3c(c(-c4nc5ccccc5c5c4ccc4ccccc45)p2-c2ccccc2)CCCC3)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cc1.

What is the InChIKey of 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine?

The InChIKey is VVGYEXSQKVOSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28NP.2C24H17NO.C24H17N.C23H15N.C22H21N3/c1-3-14-26(15-4-1)36-29-19-9-10-20-30(29)37(39(36)27-16-5-2-6-17-27)35-32-24-23-25-13-7-8-18-28(25)34(32)31-21-11-12-22-33(31)38-35;1-26-18-9-6-8-16(13-18)21-14-17-7-2-3-10-19(17)24-20-11-4-5-12-23(20)25-15-22(21)24;1-26-18-12-10-16(11-13-18)21-14-17-6-2-3-7-19(17)24-20-8-4-5-9-23(20)25-15-22(21)24;1-16-10-12-17(13-11-16)21-14-18-6-2-3-7-19(18)24-20-8-4-5-9-23(20)25-15-22(21)24;1-2-9-17(10-3-1)23-20-15-14-16-8-4-5-11-18(16)22(20)19-12-6-7-13-21(19)24-23;1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h1-8,11-18,21-24H,9-10,19-20H2;2*2-15H,1H3;2-15H,1H3;1-15H;2-11H,12-15H2,1H3.

What are the key properties of 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine?

6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine has a molecular weight of 2140.64 g/mol, XLogP of 40.18, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-diphenyl-4,5,6,7-tetrahydroisophosphindol-1-yl)benzo[k]phenanthridine;7-(3-methoxyphenyl)benzo[k]phenanthridine;7-(4-methoxyphenyl)benzo[k]phenanthridine;7-(4-methylphenyl)benzo[k]phenanthridine;6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine;6-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 161409494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).