3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C50H30N4O — CID 130355720

IUPAC3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C50H30N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-30H
InChIKeyGCHKAGGHDJLPEZ-UHFFFAOYSA-N
MW702.82 g/mol
LogP13.06
Rot. Bonds4

About 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 130355720) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID130355720
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C50H30N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-30H
InChIKeyGCHKAGGHDJLPEZ-UHFFFAOYSA-N
XLogP13.06
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
CID 134353213
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 130355720) is 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GCHKAGGHDJLPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-2-12-34(13-3-1)53-43-19-9-5-14-35(43)39-28-31(22-25-45(39)53)32-23-26-46-40(29-32)36-15-6-10-20-44(36)54(46)50-51-42-18-8-4-17-38(42)49(52-50)33-24-27-48-41(30-33)37-16-7-11-21-47(37)55-48/h1-30H.
What are the key properties of 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 702.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 130355720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).