5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole

C62H42N4 — CID 167193900

About 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole

5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 167193900) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 167193900
• Molecular Formula: C62H42N4
• Molecular Weight: 843.05 g/mol
• Exact Mass: 842.34
• IUPAC Name: 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
• SMILES: Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cc5C)c4)c23)c1
• InChI: InChI=1S/C62H42N4/c1-39-16-14-20-43(36-39)64-56-29-13-9-25-52(56)60-58(64)35-33-49-47-22-6-10-26-53(47)65(61(49)60)44-21-15-17-41(38-44)46-31-30-45(37-40(46)2)66-54-27-11-7-23-48(54)50-32-34-57-59(62(50)66)51-24-8-12-28-55(51)63(57)42-18-4-3-5-19-42/h3-38H,1-2H3
• InChIKey: XBOJGAUGNFVNBR-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.05
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole (CID 167193900) is 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole is Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cc5C)c4)c23)c1.

What is the InChIKey of 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is XBOJGAUGNFVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-39-16-14-20-43(36-39)64-56-29-13-9-25-52(56)60-58(64)35-33-49-47-22-6-10-26-53(47)65(61(49)60)44-21-15-17-41(38-44)46-31-30-45(37-40(46)2)66-54-27-11-7-23-48(54)50-32-34-57-59(62(50)66)51-24-8-12-28-55(51)63(57)42-18-4-3-5-19-42/h3-38H,1-2H3.

What are the key properties of 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole?

5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 843.05 g/mol, XLogP of 16.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 167193900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).