12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole

C62H40N4 — CID 155240323

About 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole

12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 155240323) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 155240323
• Molecular Formula: C62H40N4
• Molecular Weight: 841.03 g/mol
• Exact Mass: 840.33
• IUPAC Name: 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)n3)cc2)cc1
• InChI: InChI=1S/C62H40N4/c1-3-17-41(18-4-1)43-33-35-45(36-34-43)53-40-54(47-24-15-23-46(39-47)42-19-5-2-6-20-42)64-62(63-53)52-28-11-14-31-58(52)65-57-30-13-10-27-51(57)60-59(65)38-37-50-49-26-9-12-29-56(49)66(61(50)60)55-32-16-22-44-21-7-8-25-48(44)55/h1-40H
• InChIKey: QGGFCYGBTCJCSQ-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.03
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole (CID 155240323) is 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)n3)cc2)cc1.

What is the InChIKey of 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is QGGFCYGBTCJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-3-17-41(18-4-1)43-33-35-45(36-34-43)53-40-54(47-24-15-23-46(39-47)42-19-5-2-6-20-42)64-62(63-53)52-28-11-14-31-58(52)65-57-30-13-10-27-51(57)60-59(65)38-37-50-49-26-9-12-29-56(49)66(61(50)60)55-32-16-22-44-21-7-8-25-48(44)55/h1-40H.

What are the key properties of 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole?

12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 841.03 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 155240323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).