5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole

C38H25N3O — CID 138633692

IUPAC5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2Oc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)C2C=C1
InChIInChI=1S/C38H25N3O/c1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-23,27,34H
InChIKeyPKLKALMXXSLRLN-UHFFFAOYSA-N
MW539.64 g/mol
LogP9.03
Rot. Bonds3

About 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole

5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 138633692) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID138633692
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2Oc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)C2C=C1
InChIInChI=1S/C38H25N3O/c1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-23,27,34H
InChIKeyPKLKALMXXSLRLN-UHFFFAOYSA-N
XLogP9.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4,6-diphenylquinazolin-2-yl)-14-phenyl-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;9-(4,7-diphenylquinazolin-2-yl)-14-phenyl-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;9-(4,6-diphenylquinazolin-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;9-(4,7-diphenylquinazolin-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 157258726
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 162053417
18-[4-(4-phenylphenyl)quinazolin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene
CID 164845764
9-(4-methylphenyl)-14-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-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 170201968
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 138633692) is 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2Oc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)C2C=C1.
What is the InChIKey of 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is PKLKALMXXSLRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-3-11-24(12-4-1)26-19-21-31-30(23-26)36(25-13-5-2-6-14-25)40-38(39-31)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-37(28)35/h1-23,27,34H.
What are the key properties of 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 539.64 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138633692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).