2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane

C121H81N7OS — CID 159000306

About 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane

2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane (PubChem CID 159000306) has the molecular formula C121H81N7OS and a molecular weight of 1681.09 g/mol. Its IUPAC name is 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane.

Molecular Properties

• Compound Name: 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane
• PubChem CID: 159000306
• Molecular Formula: C121H81N7OS
• Molecular Weight: 1681.09 g/mol
• Exact Mass: 1679.62
• IUPAC Name: 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane
• SMILES: C.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1
• InChI: InChI=1S/C44H29N3.C38H24N2O.C38H24N2S.CH4/c1-4-13-31(14-5-1)36-19-12-20-38-42(36)37-28-27-34(29-40(37)45-43(38)32-15-6-2-7-16-32)30-23-25-33(26-24-30)44-46-39-21-10-11-22-41(39)47(44)35-17-8-3-9-18-35;2*1-3-10-26(11-4-1)30-14-9-15-32-36(30)31-23-22-29(24-34(31)39-37(32)27-12-5-2-6-13-27)25-18-20-28(21-19-25)38-40-33-16-7-8-17-35(33)41-38;/h1-29H;2*1-24H;1H4
• InChIKey: JRGLFBNSSBONKM-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 95.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1681.09
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane?

The IUPAC name of 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane (CID 159000306) is 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane.

What is the SMILES notation for 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane?

The canonical SMILES for 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane is C.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1.c1ccc(-c2nc3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc3c3c(-c4ccccc4)cccc23)cc1.

What is the InChIKey of 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane?

The InChIKey is JRGLFBNSSBONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3.C38H24N2O.C38H24N2S.CH4/c1-4-13-31(14-5-1)36-19-12-20-38-42(36)37-28-27-34(29-40(37)45-43(38)32-15-6-2-7-16-32)30-23-25-33(26-24-30)44-46-39-21-10-11-22-41(39)47(44)35-17-8-3-9-18-35;2*1-3-10-26(11-4-1)30-14-9-15-32-36(30)31-23-22-29(24-34(31)39-37(32)27-12-5-2-6-13-27)25-18-20-28(21-19-25)38-40-33-16-7-8-17-35(33)41-38;/h1-29H;2*1-24H;1H4.

What are the key properties of 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane?

2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane has a molecular weight of 1681.09 g/mol, XLogP of 32.89, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane is sourced from PubChem (CID 159000306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).