7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole

C48H29N3O — CID 71109044

IUPAC7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-30(14-3-1)40-29-43-45(35-17-5-4-15-33(35)40)38-19-7-10-23-42(38)51(43)32-27-25-31(26-28-32)48-49-41-22-9-6-18-37(41)46(50-48)39-21-12-20-36-34-16-8-11-24-44(34)52-47(36)39/h1-29H
InChIKeyMAQNHSTYYRFUFX-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole

7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole (PubChem CID 71109044) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole
PubChem CID71109044
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-30(14-3-1)40-29-43-45(35-17-5-4-15-33(35)40)38-19-7-10-23-42(38)51(43)32-27-25-31(26-28-32)48-49-41-22-9-6-18-37(41)46(50-48)39-21-12-20-36-34-16-8-11-24-44(34)52-47(36)39/h1-29H
InChIKeyMAQNHSTYYRFUFX-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 71291233
9-[4-(4-phenylquinazolin-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118301183
9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 160888626
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166511989
4-dibenzofuran-4-yl-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 171437968
12-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149698
12-[6-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139362069
3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole?
The IUPAC name of 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole (CID 71109044) is 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole is c1ccc(-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole?
The InChIKey is MAQNHSTYYRFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-13-30(14-3-1)40-29-43-45(35-17-5-4-15-33(35)40)38-19-7-10-23-42(38)51(43)32-27-25-31(26-28-32)48-49-41-22-9-6-18-37(41)46(50-48)39-21-12-20-36-34-16-8-11-24-44(34)52-47(36)39/h1-29H.
What are the key properties of 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole?
7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole is sourced from PubChem (CID 71109044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).