7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole

C147H90N12OS — CID 159689558

About 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole

7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 159689558) has the molecular formula C147H90N12OS and a molecular weight of 2072.49 g/mol. Its IUPAC name is 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
• PubChem CID: 159689558
• Molecular Formula: C147H90N12OS
• Molecular Weight: 2072.49 g/mol
• Exact Mass: 2070.71
• IUPAC Name: 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6cccc(-n7c8ccccc8c8ccccc87)c6cc54)nc4ccccc34)cccc21.c1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1.c1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
• InChI: InChI=1S/C51H34N4.C48H28N4O.C48H28N4S/c1-51(2)40-22-8-3-19-35(40)48-37(21-14-23-41(48)51)49-36-20-4-9-24-42(36)52-50(53-49)55-45-27-12-7-18-34(45)39-29-31-15-13-28-46(38(31)30-47(39)55)54-43-25-10-5-16-32(43)33-17-6-11-26-44(33)54;2*1-6-18-39-35(17-1)47(30-24-25-46-38(27-30)34-16-5-10-23-45(34)53-46)50-48(49-39)52-42-21-9-4-15-33(42)37-26-29-12-11-22-43(36(29)28-44(37)52)51-40-19-7-2-13-31(40)32-14-3-8-20-41(32)51/h3-30H,1-2H3;2*1-28H
• InChIKey: MWFSGUPULCROAW-UHFFFAOYSA-N
• XLogP: 38.51
• TPSA: 120.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.49
LogP ≤ 5	38.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole?

The IUPAC name of 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole (CID 159689558) is 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole.

What is the SMILES notation for 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole?

The canonical SMILES for 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6cccc(-n7c8ccccc8c8ccccc87)c6cc54)nc4ccccc34)cccc21.c1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1.c1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1.

What is the InChIKey of 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole?

The InChIKey is MWFSGUPULCROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4.C48H28N4O.C48H28N4S/c1-51(2)40-22-8-3-19-35(40)48-37(21-14-23-41(48)51)49-36-20-4-9-24-42(36)52-50(53-49)55-45-27-12-7-18-34(45)39-29-31-15-13-28-46(38(31)30-47(39)55)54-43-25-10-5-16-32(43)33-17-6-11-26-44(33)54;2*1-6-18-39-35(17-1)47(30-24-25-46-38(27-30)34-16-5-10-23-45(34)53-46)50-48(49-39)52-42-21-9-4-15-33(42)37-26-29-12-11-22-43(36(29)28-44(37)52)51-40-19-7-2-13-31(40)32-14-3-8-20-41(32)51/h3-30H,1-2H3;2*1-28H.

What are the key properties of 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole?

7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 2072.49 g/mol, XLogP of 38.51, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 159689558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).