5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole

C58H34N4O — CID 134353213

IUPAC5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6nc(-c7ccc8oc9ccccc9c8c7)c7ccccc7n6)c5c5ccccc45)c4ccccc4c32)cc1
InChIInChI=1S/C58H34N4O/c1-2-16-36(17-3-1)61-51-27-13-9-20-39(51)48-33-45(37-18-4-6-23-42(37)56(48)61)46-34-49-40-21-10-14-28-52(40)62(57(49)43-24-7-5-19-38(43)46)58-59-50-26-12-8-25-44(50)55(60-58)35-30-31-54-47(32-35)41-22-11-15-29-53(41)63-54/h1-34H
InChIKeyCADNPPRGUHSUEV-UHFFFAOYSA-N
MW802.94 g/mol
LogP15.36
Rot. Bonds4

About 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole

5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole (PubChem CID 134353213) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
PubChem CID134353213
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6nc(-c7ccc8oc9ccccc9c8c7)c7ccccc7n6)c5c5ccccc45)c4ccccc4c32)cc1
InChIInChI=1S/C58H34N4O/c1-2-16-36(17-3-1)61-51-27-13-9-20-39(51)48-33-45(37-18-4-6-23-42(37)56(48)61)46-34-49-40-21-10-14-28-52(40)62(57(49)43-24-7-5-19-38(43)46)58-59-50-26-12-8-25-44(50)55(60-58)35-30-31-54-47(32-35)41-22-11-15-29-53(41)63-54/h1-34H
InChIKeyCADNPPRGUHSUEV-UHFFFAOYSA-N
XLogP15.36
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene
CID 164589197
9-[4-(4-dibenzofuran-2-ylphenyl)quinazolin-2-yl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634606
18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672656
9-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369955
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679655
9-(4-dibenzofuran-2-ylquinazolin-2-yl)-28-phenyl-12-oxa-9,28-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,29.022,27]hentriaconta-1,3,5,7,10,13,15,17,19,21(29),22,24,26,30-tetradecaene
CID 146610254
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142569509
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

Frequently Asked Questions

What is the IUPAC name of 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole (CID 134353213) is 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6nc(-c7ccc8oc9ccccc9c8c7)c7ccccc7n6)c5c5ccccc45)c4ccccc4c32)cc1.
What is the InChIKey of 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is CADNPPRGUHSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-2-16-36(17-3-1)61-51-27-13-9-20-39(51)48-33-45(37-18-4-6-23-42(37)56(48)61)46-34-49-40-21-10-14-28-52(40)62(57(49)43-24-7-5-19-38(43)46)58-59-50-26-12-8-25-44(50)55(60-58)35-30-31-54-47(32-35)41-22-11-15-29-53(41)63-54/h1-34H.
What are the key properties of 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole?
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 802.94 g/mol, XLogP of 15.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 134353213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).