7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

C108H66N12 — CID 139315805

About 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 139315805) has the molecular formula C108H66N12 and a molecular weight of 1531.80 g/mol. Its IUPAC name is 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 139315805
• Molecular Formula: C108H66N12
• Molecular Weight: 1531.80 g/mol
• Exact Mass: 1530.55
• IUPAC Name: 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)cc(-n3c4ccccc4c4cc(-n5c6ccc(-c7cccc8c7nc7n(-c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(-c%11nc(-c%12ccccc%12)c%12ccccc%12n%11)cc%10)cc9n87)cc6n6c7ccccc7nc56)ccc43)c2)cc1
• InChI: InChI=1S/C108H66N12/c1-6-25-67(26-7-1)72-47-54-90-88(63-72)103(70-31-12-4-13-32-70)113-106(110-90)77-59-76(68-27-8-2-9-28-68)60-81(61-77)116-93-42-22-18-36-84(93)87-66-80(53-58-95(87)116)118-98-57-50-75(65-101(98)119-96-43-23-20-40-91(96)111-107(118)119)82-38-24-44-99-104(82)114-108-117(78-33-14-5-15-34-78)97-56-49-74(64-100(97)120(99)108)73-48-55-94-86(62-73)83-35-17-21-41-92(83)115(94)79-51-45-71(46-52-79)105-109-89-39-19-16-37-85(89)102(112-105)69-29-10-3-11-30-69/h1-66H
• InChIKey: VDYTVBSAEKGMDU-UHFFFAOYSA-N
• XLogP: 26.59
• TPSA: 105.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.80
LogP ≤ 5	26.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 139315805) is 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)cc(-n3c4ccccc4c4cc(-n5c6ccc(-c7cccc8c7nc7n(-c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(-c%11nc(-c%12ccccc%12)c%12ccccc%12n%11)cc%10)cc9n87)cc6n6c7ccccc7nc56)ccc43)c2)cc1.

What is the InChIKey of 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

The InChIKey is VDYTVBSAEKGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H66N12/c1-6-25-67(26-7-1)72-47-54-90-88(63-72)103(70-31-12-4-13-32-70)113-106(110-90)77-59-76(68-27-8-2-9-28-68)60-81(61-77)116-93-42-22-18-36-84(93)87-66-80(53-58-95(87)116)118-98-57-50-75(65-101(98)119-96-43-23-20-40-91(96)111-107(118)119)82-38-24-44-99-104(82)114-108-117(78-33-14-5-15-34-78)97-56-49-74(64-100(97)120(99)108)73-48-55-94-86(62-73)83-35-17-21-41-92(83)115(94)79-51-45-71(46-52-79)105-109-89-39-19-16-37-85(89)102(112-105)69-29-10-3-11-30-69/h1-66H.

What are the key properties of 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?

7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1531.80 g/mol, XLogP of 26.59, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139315805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).