9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole

C50H38N4O4 — CID 146355633

About 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole

9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 146355633) has the molecular formula C50H38N4O4 and a molecular weight of 758.88 g/mol. Its IUPAC name is 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole
• PubChem CID: 146355633
• Molecular Formula: C50H38N4O4
• Molecular Weight: 758.88 g/mol
• Exact Mass: 758.29
• IUPAC Name: 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole
• SMILES: COC1=Cc2c(n(-c3ccccc3-c3c#cncc3-c3cnccc3-c3ccccc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)c3ccc(OC)cc23)CC1
• InChI: InChI=1S/C50H38N4O4/c1-55-31-13-17-47-39(25-31)40-26-32(56-2)14-18-48(40)53(47)45-11-7-5-9-37(45)35-21-23-51-29-43(35)44-30-52-24-22-36(44)38-10-6-8-12-46(38)54-49-19-15-33(57-3)27-41(49)42-28-34(58-4)16-20-50(42)54/h5-15,17-19,21,23,25-30H,16,20H2,1-4H3
• InChIKey: MOPXRKRNDRRGOF-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.88
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?

The IUPAC name of 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole (CID 146355633) is 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole.

What is the SMILES notation for 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?

The canonical SMILES for 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole is COC1=Cc2c(n(-c3ccccc3-c3c#cncc3-c3cnccc3-c3ccccc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)c3ccc(OC)cc23)CC1.

What is the InChIKey of 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?

The InChIKey is MOPXRKRNDRRGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O4/c1-55-31-13-17-47-39(25-31)40-26-32(56-2)14-18-48(40)53(47)45-11-7-5-9-37(45)35-21-23-51-29-43(35)44-30-52-24-22-36(44)38-10-6-8-12-46(38)54-49-19-15-33(57-3)27-41(49)42-28-34(58-4)16-20-50(42)54/h5-15,17-19,21,23,25-30H,16,20H2,1-4H3.

What are the key properties of 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole?

9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole has a molecular weight of 758.88 g/mol, XLogP of 11.08, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[4-[2-(3,6-dimethoxy-1,2-dihydrocarbazol-9-yl)phenyl]-5,6-didehydropyridin-3-yl]-4-pyridinyl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 146355633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).