7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole

C51H38N4 — CID 70641119

About 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole

7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole (PubChem CID 70641119) has the molecular formula C51H38N4 and a molecular weight of 706.89 g/mol. Its IUPAC name is 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole.

Molecular Properties

• Compound Name: 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole
• PubChem CID: 70641119
• Molecular Formula: C51H38N4
• Molecular Weight: 706.89 g/mol
• Exact Mass: 706.31
• IUPAC Name: 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4c5ccc(-c6ccc(C7CN8C=CC=NC8=N7)cc6)cc5ccc43)cc21
• InChI: InChI=1S/C51H38N4/c1-51(2)43-17-10-9-16-41(43)42-26-24-39(31-44(42)51)55-46-27-23-38-30-37(33-18-20-34(21-19-33)45-32-54-29-11-28-52-50(54)53-45)22-25-40(38)48(46)47(35-12-5-3-6-13-35)49(55)36-14-7-4-8-15-36/h3-31,45H,32H2,1-2H3
• InChIKey: FKKSBNZZZBZVRV-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 32.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.89
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole?

The IUPAC name of 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole (CID 70641119) is 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole.

What is the SMILES notation for 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole?

The canonical SMILES for 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole is CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4c5ccc(-c6ccc(C7CN8C=CC=NC8=N7)cc6)cc5ccc43)cc21.

What is the InChIKey of 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole?

The InChIKey is FKKSBNZZZBZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4/c1-51(2)43-17-10-9-16-41(43)42-26-24-39(31-44(42)51)55-46-27-23-38-30-37(33-18-20-34(21-19-33)45-32-54-29-11-28-52-50(54)53-45)22-25-40(38)48(46)47(35-12-5-3-6-13-35)49(55)36-14-7-4-8-15-36/h3-31,45H,32H2,1-2H3.

What are the key properties of 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole?

7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole has a molecular weight of 706.89 g/mol, XLogP of 12.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-3-(9,9-dimethylfluoren-2-yl)-1,2-diphenylbenzo[e]indole is sourced from PubChem (CID 70641119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).