5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole

C62H54N2 — CID 170271450

About 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole

5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole (PubChem CID 170271450) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole
• PubChem CID: 170271450
• Molecular Formula: C62H54N2
• Molecular Weight: 827.13 g/mol
• Exact Mass: 826.43
• IUPAC Name: 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole
• SMILES: CC1C=CC(c2cccc(C3=CC(c4ccc(-c5cc(C6=CC=CCC6)ccc5-n5c6ccccc6c6ccc7c(c8c(n7C7=CCCC=C7)C(C)CC=C8)c65)cc4)CC=C3)c2)=CC1
• InChI: InChI=1S/C62H54N2/c1-41-26-28-44(29-27-41)47-17-12-19-49(38-47)50-20-13-18-48(39-50)45-30-32-46(33-31-45)56-40-51(43-15-5-3-6-16-43)34-36-58(56)64-57-25-10-9-23-53(57)54-35-37-59-60(62(54)64)55-24-11-14-42(2)61(55)63(59)52-21-7-4-8-22-52/h3,5,7,9-13,15,17,19-26,28-42,48H,4,6,8,14,16,18,27H2,1-2H3
• InChIKey: AKRNYEBDIBZZBY-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.13
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole?

The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole (CID 170271450) is 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole.

What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole?

The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole is CC1C=CC(c2cccc(C3=CC(c4ccc(-c5cc(C6=CC=CCC6)ccc5-n5c6ccccc6c6ccc7c(c8c(n7C7=CCCC=C7)C(C)CC=C8)c65)cc4)CC=C3)c2)=CC1.

What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole?

The InChIKey is AKRNYEBDIBZZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2/c1-41-26-28-44(29-27-41)47-17-12-19-49(38-47)50-20-13-18-48(39-50)45-30-32-46(33-31-45)56-40-51(43-15-5-3-6-16-43)34-36-58(56)64-57-25-10-9-23-53(57)54-35-37-59-60(62(54)64)55-24-11-14-42(2)61(55)63(59)52-21-7-4-8-22-52/h3,5,7,9-13,15,17,19-26,28-42,48H,4,6,8,14,16,18,27H2,1-2H3.

What are the key properties of 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole?

5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole has a molecular weight of 827.13 g/mol, XLogP of 16.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 170271450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).