10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole

C145H107N7O2S2 — CID 157214184

About 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole

10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 157214184) has the molecular formula C145H107N7O2S2 and a molecular weight of 2043.63 g/mol. Its IUPAC name is 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole
• PubChem CID: 157214184
• Molecular Formula: C145H107N7O2S2
• Molecular Weight: 2043.63 g/mol
• Exact Mass: 2041.79
• IUPAC Name: 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole
• SMILES: Cc1ccc2[nH]c3cc4oc5ccccc5c4cc3c2c1.Cc1ccc2[nH]c3cc4sc5ccccc5c4cc3c2c1.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)c1ccccc1-3.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)oc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)sc1ccccc13.Cc1ccc2c(ccc3ccccc32)c1.Cc1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C28H23N.C25H17NO.C25H17NS.C19H13NO.C19H13NS.C15H12.C14H12N2/c1-18-13-14-26-22(15-18)23-16-21-20-11-7-8-12-24(20)28(2,3)25(21)17-27(23)29(26)19-9-5-4-6-10-19;2*1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17;2*1-11-6-7-16-13(8-11)14-9-15-12-4-2-3-5-18(12)21-19(15)10-17(14)20-16;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h4-17H,1-3H3;2*2-15H,1H3;2*2-10,20H,1H3;2-10H,1H3;2-10H,1H3
• InChIKey: ASFMKCQTNGKXOB-UHFFFAOYSA-N
• XLogP: 41.01
• TPSA: 90.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2043.63
LogP ≤ 5	41.01
H-Bond Donors ≤ 5	2
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 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole?

The IUPAC name of 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole (CID 157214184) is 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole.

What is the SMILES notation for 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole?

The canonical SMILES for 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole is Cc1ccc2[nH]c3cc4oc5ccccc5c4cc3c2c1.Cc1ccc2[nH]c3cc4sc5ccccc5c4cc3c2c1.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)c1ccccc1-3.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)oc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)sc1ccccc13.Cc1ccc2c(ccc3ccccc32)c1.Cc1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole?

The InChIKey is ASFMKCQTNGKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N.C25H17NO.C25H17NS.C19H13NO.C19H13NS.C15H12.C14H12N2/c1-18-13-14-26-22(15-18)23-16-21-20-11-7-8-12-24(20)28(2,3)25(21)17-27(23)29(26)19-9-5-4-6-10-19;2*1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17;2*1-11-6-7-16-13(8-11)14-9-15-12-4-2-3-5-18(12)21-19(15)10-17(14)20-16;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h4-17H,1-3H3;2*2-15H,1H3;2*2-10,20H,1H3;2-10H,1H3;2-10H,1H3.

What are the key properties of 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole?

10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 2043.63 g/mol, XLogP of 41.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-7H-[1]benzofuro[2,3-b]carbazole;10-methyl-7H-[1]benzothiolo[2,3-b]carbazole;2-methylphenanthrene;2-methyl-1-phenylbenzimidazole;10-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2,7,7-trimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 157214184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).