9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene

C155H107N3S — CID 159221708

About 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene

9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene (PubChem CID 159221708) has the molecular formula C155H107N3S and a molecular weight of 2043.65 g/mol. Its IUPAC name is 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene.

Molecular Properties

• Compound Name: 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene
• PubChem CID: 159221708
• Molecular Formula: C155H107N3S
• Molecular Weight: 2043.65 g/mol
• Exact Mass: 2041.82
• IUPAC Name: 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene
• SMILES: CC1(C)c2ccccc2N(c2ccc3ccc4ccc5ccccc5c4c3c2)c2ccccc21.Cc1ccccc1-c1ccc2ccc3ccc4ccc(-c5ccccc5C)cc4c3c2c1.c1ccc(-c2ccc3ccc4ccc5ccc(-c6ccccc6)cc5c4c3c2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2ccc3ccc4ccccc4c3c2c1.c1ccc2c(c1)ccc1ccc3ccc(-n4c5ccccc5c5ccccc54)cc3c12
• InChI: InChI=1S/C33H25N.C32H24.C30H19NS.C30H19N.C30H20/c1-33(2)28-11-5-7-13-30(28)34(31-14-8-6-12-29(31)33)25-20-19-23-16-18-24-17-15-22-9-3-4-10-26(22)32(24)27(23)21-25;1-21-7-3-5-9-28(21)26-17-13-23-11-15-25-16-12-24-14-18-27(29-10-6-4-8-22(29)2)20-31(24)32(25)30(23)19-26;1-2-8-24-20(7-1)13-15-22-16-14-21-17-18-23(19-25(21)30(22)24)31-26-9-3-5-11-28(26)32-29-12-6-4-10-27(29)31;1-2-8-24-20(7-1)13-15-22-16-14-21-17-18-23(19-27(21)30(22)24)31-28-11-5-3-9-25(28)26-10-4-6-12-29(26)31;1-3-7-21(8-4-1)26-17-13-23-11-15-25-16-12-24-14-18-27(22-9-5-2-6-10-22)20-29(24)30(25)28(23)19-26/h3-21H,1-2H3;3-20H,1-2H3;1-19H;1-19H;1-20H
• InChIKey: KRTUFQTUMBTHMS-UHFFFAOYSA-N
• XLogP: 44.16
• TPSA: 11.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2043.65
LogP ≤ 5	44.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene?

The IUPAC name of 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene (CID 159221708) is 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene.

What is the SMILES notation for 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene?

The canonical SMILES for 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene is CC1(C)c2ccccc2N(c2ccc3ccc4ccc5ccccc5c4c3c2)c2ccccc21.Cc1ccccc1-c1ccc2ccc3ccc4ccc(-c5ccccc5C)cc4c3c2c1.c1ccc(-c2ccc3ccc4ccc5ccc(-c6ccccc6)cc5c4c3c2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2ccc3ccc4ccccc4c3c2c1.c1ccc2c(c1)ccc1ccc3ccc(-n4c5ccccc5c5ccccc54)cc3c12.

What is the InChIKey of 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene?

The InChIKey is KRTUFQTUMBTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N.C32H24.C30H19NS.C30H19N.C30H20/c1-33(2)28-11-5-7-13-30(28)34(31-14-8-6-12-29(31)33)25-20-19-23-16-18-24-17-15-22-9-3-4-10-26(22)32(24)27(23)21-25;1-21-7-3-5-9-28(21)26-17-13-23-11-15-25-16-12-24-14-18-27(29-10-6-4-8-22(29)2)20-31(24)32(25)30(23)19-26;1-2-8-24-20(7-1)13-15-22-16-14-21-17-18-23(19-25(21)30(22)24)31-26-9-3-5-11-28(26)32-29-12-6-4-10-27(29)31;1-2-8-24-20(7-1)13-15-22-16-14-21-17-18-23(19-27(21)30(22)24)31-28-11-5-3-9-25(28)26-10-4-6-12-29(26)31;1-3-7-21(8-4-1)26-17-13-23-11-15-25-16-12-24-14-18-27(22-9-5-2-6-10-22)20-29(24)30(25)28(23)19-26/h3-21H,1-2H3;3-20H,1-2H3;1-19H;1-19H;1-20H.

What are the key properties of 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene?

9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene has a molecular weight of 2043.65 g/mol, XLogP of 44.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzo[c]phenanthren-2-ylcarbazole;10-benzo[c]phenanthren-2-yl-9,9-dimethylacridine;10-benzo[c]phenanthren-2-ylphenothiazine;2,11-bis(2-methylphenyl)benzo[c]phenanthrene;2,11-diphenylbenzo[c]phenanthrene is sourced from PubChem (CID 159221708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).