5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole

C129H81N9OS — CID 159844636

IUPAC5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(-c5ccccc5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4c3)ccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5sc6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C45H31N3.C42H25N3O.C42H25N3S/c1-45(2)38-18-10-8-16-33(38)36-24-31(21-23-39(36)45)32-20-22-35-40(26-32)46-44(47-43(35)28-12-4-3-5-13-28)48-41-19-11-9-17-34(41)37-25-29-14-6-7-15-30(29)27-42(37)48;2*1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h3-27H,1-2H3;2*1-25H
InChIKeyNPDFRUKCORBQSD-UHFFFAOYSA-N
MW1805.20 g/mol
LogP34.22
Rot. Bonds9

About 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole

5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole (PubChem CID 159844636) has the molecular formula C129H81N9OS and a molecular weight of 1805.20 g/mol. Its IUPAC name is 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
PubChem CID159844636
Molecular FormulaC129H81N9OS
Molecular Weight1805.20 g/mol
Exact Mass1803.63
IUPAC Name5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(-c5ccccc5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4c3)ccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5sc6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C45H31N3.C42H25N3O.C42H25N3S/c1-45(2)38-18-10-8-16-33(38)36-24-31(21-23-39(36)45)32-20-22-35-40(26-32)46-44(47-43(35)28-12-4-3-5-13-28)48-41-19-11-9-17-34(41)37-25-29-14-6-7-15-30(29)27-42(37)48;2*1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h3-27H,1-2H3;2*1-25H
InChIKeyNPDFRUKCORBQSD-UHFFFAOYSA-N
XLogP34.22
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.20
LogP ≤ 534.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
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
5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
CID 160800413
5-(4-dibenzofuran-1-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(4-dibenzofuran-2-yl-7-phenylquinazolin-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-1-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 158295974
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
CID 146540586
3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 159174015
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
CID 160619323
CID 160619323
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159748904
3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
CID 139315619

Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole (CID 159844636) is 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(-c5ccccc5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4c3)ccc21.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5sc6ccccc6c5c4)ccc23)cc1.
What is the InChIKey of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole?
The InChIKey is NPDFRUKCORBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3.C42H25N3O.C42H25N3S/c1-45(2)38-18-10-8-16-33(38)36-24-31(21-23-39(36)45)32-20-22-35-40(26-32)46-44(47-43(35)28-12-4-3-5-13-28)48-41-19-11-9-17-34(41)37-25-29-14-6-7-15-30(29)27-42(37)48;2*1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h3-27H,1-2H3;2*1-25H.
What are the key properties of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole?
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole has a molecular weight of 1805.20 g/mol, XLogP of 34.22, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 159844636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).