10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole

C54H31N3O2 — CID 134594856

IUPAC10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9oc%10ccccc%10c89)c8ccccc8n7)c6c5c4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-35(14-3-1)57-44-27-25-33(30-41(44)50-36-15-5-4-12-32(36)24-28-45(50)57)34-26-29-47-42(31-34)52-40(19-11-23-49(52)59-47)54-55-43-20-8-6-16-37(43)53(56-54)39-18-10-22-48-51(39)38-17-7-9-21-46(38)58-48/h1-31H
InChIKeyYEZOPBDTYNQNGF-UHFFFAOYSA-N
MW753.86 g/mol
LogP14.68
Rot. Bonds4

About 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole

10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole (PubChem CID 134594856) has the molecular formula C54H31N3O2 and a molecular weight of 753.86 g/mol. Its IUPAC name is 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
PubChem CID134594856
Molecular FormulaC54H31N3O2
Molecular Weight753.86 g/mol
Exact Mass753.24
IUPAC Name10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9oc%10ccccc%10c89)c8ccccc8n7)c6c5c4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-35(14-3-1)57-44-27-25-33(30-41(44)50-36-15-5-4-12-32(36)24-28-45(50)57)34-26-29-47-42(31-34)52-40(19-11-23-49(52)59-47)54-55-43-20-8-6-16-37(43)53(56-54)39-18-10-22-48-51(39)38-17-7-9-21-46(38)58-48/h1-31H
InChIKeyYEZOPBDTYNQNGF-UHFFFAOYSA-N
XLogP14.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.86
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 163799058
7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390
10-[9-(1-ethylbenzimidazol-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
CID 134594956
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
CID 145159176
18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475167
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
10-[4-(9-bromodibenzofuran-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 134595020

Frequently Asked Questions

What is the IUPAC name of 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole (CID 134594856) is 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9oc%10ccccc%10c89)c8ccccc8n7)c6c5c4)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is YEZOPBDTYNQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3O2/c1-2-13-35(14-3-1)57-44-27-25-33(30-41(44)50-36-15-5-4-12-32(36)24-28-45(50)57)34-26-29-47-42(31-34)52-40(19-11-23-49(52)59-47)54-55-43-20-8-6-16-37(43)53(56-54)39-18-10-22-48-51(39)38-17-7-9-21-46(38)58-48/h1-31H.
What are the key properties of 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole?
10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 753.86 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 134594856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).