2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole

C44H29N3O — CID 146337811

IUPAC2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4oc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N3O/c1-3-13-28(14-4-1)30-25-26-32-31-17-8-10-22-37(31)47(39(32)27-30)38-23-11-19-34-41-35(20-12-24-40(41)48-43(34)38)44-45-36-21-9-7-18-33(36)42(46-44)29-15-5-2-6-16-29/h1-27,44-45H
InChIKeyGSMXZCIFWKXMRV-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.31
Rot. Bonds4

About 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole

2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146337811) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID146337811
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4oc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N3O/c1-3-13-28(14-4-1)30-25-26-32-31-17-8-10-22-37(31)47(39(32)27-30)38-23-11-19-34-41-35(20-12-24-40(41)48-43(34)38)44-45-36-21-9-7-18-33(36)42(46-44)29-15-5-2-6-16-29/h1-27,44-45H
InChIKeyGSMXZCIFWKXMRV-UHFFFAOYSA-N
XLogP11.31
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337573
4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline
CID 170281920
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
CID 166670199
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole (CID 146337811) is 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(C2=NC(c3cccc4oc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)Nc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is GSMXZCIFWKXMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-13-28(14-4-1)30-25-26-32-31-17-8-10-22-37(31)47(39(32)27-30)38-23-11-19-34-41-35(20-12-24-40(41)48-43(34)38)44-45-36-21-9-7-18-33(36)42(46-44)29-15-5-2-6-16-29/h1-27,44-45H.
What are the key properties of 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 615.74 g/mol, XLogP of 11.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146337811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).