6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C44H26N4O — CID 134508693

IUPAC6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1
InChIInChI=1S/C44H26N4O/c1-2-11-27(12-3-1)28-22-24-41-35(25-28)32-16-10-15-30(42(32)49-41)29-21-23-39-34(26-29)31-13-5-8-19-38(31)47(39)44-46-36-17-6-4-14-33(36)43-45-37-18-7-9-20-40(37)48(43)44/h1-26H
InChIKeyUDMUBELLKWAZKX-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.37
Rot. Bonds3

About 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508693) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508693
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1
InChIInChI=1S/C44H26N4O/c1-2-11-27(12-3-1)28-22-24-41-35(25-28)32-16-10-15-30(42(32)49-41)29-21-23-39-34(26-29)31-13-5-8-19-38(31)47(39)44-46-36-17-6-4-14-33(36)43-45-37-18-7-9-20-40(37)48(43)44/h1-26H
InChIKeyUDMUBELLKWAZKX-UHFFFAOYSA-N
XLogP11.37
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
CID 134508829
6-(2-dibenzofuran-4-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-[2-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-(2-dibenzothiophen-3-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-[2-(4-dibenzothiophen-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159749366
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508747
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513658
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128241
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919

Frequently Asked Questions

What is the IUPAC name of 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134508693) is 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1.
What is the InChIKey of 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is UDMUBELLKWAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-2-11-27(12-3-1)28-22-24-41-35(25-28)32-16-10-15-30(42(32)49-41)29-21-23-39-34(26-29)31-13-5-8-19-38(31)47(39)44-46-36-17-6-4-14-33(36)43-45-37-18-7-9-20-40(37)48(43)44/h1-26H.
What are the key properties of 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 626.72 g/mol, XLogP of 11.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).