9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole

C110H66N12 — CID 139315810

About 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole

9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 139315810) has the molecular formula C110H66N12 and a molecular weight of 1555.82 g/mol. Its IUPAC name is 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
• PubChem CID: 139315810
• Molecular Formula: C110H66N12
• Molecular Weight: 1555.82 g/mol
• Exact Mass: 1554.55
• IUPAC Name: 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)nc6n(-c8ccccc8)c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10nc(-c%11ccc%12ccccc%12c%11)c%11ccccc%11n%10)cc9)cc8n76)ccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)cc4)cc3n3c4ccccc4nc23)cc1
• InChI: InChI=1S/C110H66N12/c1-3-23-81(24-4-1)119-101-57-48-78(65-103(101)121-99-34-18-16-32-93(99)113-109(119)121)75-45-55-98-90(63-75)89-62-73(43-54-97(89)118(98)84-51-41-70(42-52-84)108-112-92-31-15-12-29-87(92)106(116-108)80-38-36-68-20-8-10-22-72(68)60-80)76-46-56-100-94(64-76)114-110-120(82-25-5-2-6-26-82)102-58-47-77(66-104(102)122(100)110)74-44-53-96-88(61-74)85-27-13-17-33-95(85)117(96)83-49-39-69(40-50-83)107-111-91-30-14-11-28-86(91)105(115-107)79-37-35-67-19-7-9-21-71(67)59-79/h1-66H
• InChIKey: FJSCAMGSLXYPOK-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 105.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.82
LogP ≤ 5	27.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole (CID 139315810) is 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)nc6n(-c8ccccc8)c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10nc(-c%11ccc%12ccccc%12c%11)c%11ccccc%11n%10)cc9)cc8n76)ccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)cc4)cc3n3c4ccccc4nc23)cc1.

What is the InChIKey of 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?

The InChIKey is FJSCAMGSLXYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H66N12/c1-3-23-81(24-4-1)119-101-57-48-78(65-103(101)121-99-34-18-16-32-93(99)113-109(119)121)75-45-55-98-90(63-75)89-62-73(43-54-97(89)118(98)84-51-41-70(42-52-84)108-112-92-31-15-12-29-87(92)106(116-108)80-38-36-68-20-8-10-22-72(68)60-80)76-46-56-100-94(64-76)114-110-120(82-25-5-2-6-26-82)102-58-47-77(66-104(102)122(100)110)74-44-53-96-88(61-74)85-27-13-17-33-95(85)117(96)83-49-39-69(40-50-83)107-111-91-30-14-11-28-86(91)105(115-107)79-37-35-67-19-7-9-21-71(67)59-79/h1-66H.

What are the key properties of 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?

9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1555.82 g/mol, XLogP of 27.23, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139315810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).