3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole

C44H29N3O — CID 146334370

IUPAC3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
SMILESC1=C(c2nc(-c3ccccc3)c3ccccc3n2)c2c(oc3cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)CC1
InChIInChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-22-25-39-36(26-30)32-16-8-10-20-38(32)47(39)31-23-24-34-41(27-31)48-40-21-11-18-35(42(34)40)44-45-37-19-9-7-17-33(37)43(46-44)29-14-5-2-6-15-29/h1-10,12-20,22-27H,11,21H2
InChIKeyPQPJGNABSFZIRX-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.19
Rot. Bonds4

About 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole

3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole (PubChem CID 146334370) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
PubChem CID146334370
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
SMILESC1=C(c2nc(-c3ccccc3)c3ccccc3n2)c2c(oc3cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)CC1
InChIInChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-22-25-39-36(26-30)32-16-8-10-20-38(32)47(39)31-23-24-34-41(27-31)48-40-21-11-18-35(42(34)40)44-45-37-19-9-7-17-33(37)43(46-44)29-14-5-2-6-15-29/h1-10,12-20,22-27H,11,21H2
InChIKeyPQPJGNABSFZIRX-UHFFFAOYSA-N
XLogP11.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
4-phenyl-2-[8-(10-phenylbenzo[c]carbazol-7-yl)-3,4-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 166701992
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631957
9-[4-[2,4-bis[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]-3-dibenzofuran-3-ylcarbazole
CID 126631950
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole?
The IUPAC name of 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole (CID 146334370) is 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole is C1=C(c2nc(-c3ccccc3)c3ccccc3n2)c2c(oc3cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)CC1.
What is the InChIKey of 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole?
The InChIKey is PQPJGNABSFZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-12-28(13-4-1)30-22-25-39-36(26-30)32-16-8-10-20-38(32)47(39)31-23-24-34-41(27-31)48-40-21-11-18-35(42(34)40)44-45-37-19-9-7-17-33(37)43(46-44)29-14-5-2-6-15-29/h1-10,12-20,22-27H,11,21H2.
What are the key properties of 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole?
3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole has a molecular weight of 615.74 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole is sourced from PubChem (CID 146334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).