5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole

C48H28N4O — CID 166511613

IUPAC5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C48H28N4O/c1-2-13-31(14-3-1)51-41-20-10-7-16-33(41)37-27-38-34-17-8-11-21-42(34)52(44(38)28-43(37)51)48-49-40-19-9-6-18-36(40)46(50-48)30-23-25-45-39(26-30)35-24-22-29-12-4-5-15-32(29)47(35)53-45/h1-28H
InChIKeySTQJAWWMAVRUER-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.54
Rot. Bonds3

About 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole

5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 166511613) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID166511613
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C48H28N4O/c1-2-13-31(14-3-1)51-41-20-10-7-16-33(41)37-27-38-34-17-8-11-21-42(34)52(44(38)28-43(37)51)48-49-40-19-9-6-18-36(40)46(50-48)30-23-25-45-39(26-30)35-24-22-29-12-4-5-15-32(29)47(35)53-45/h1-28H
InChIKeySTQJAWWMAVRUER-UHFFFAOYSA-N
XLogP12.54
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-naphtho[1,2-b][1]benzofuran-9-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 166511619
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene
CID 129141852
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
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
15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 166511613) is 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc6n5)c4cc32)cc1.
What is the InChIKey of 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is STQJAWWMAVRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-13-31(14-3-1)51-41-20-10-7-16-33(41)37-27-38-34-17-8-11-21-42(34)52(44(38)28-43(37)51)48-49-40-19-9-6-18-36(40)46(50-48)30-23-25-45-39(26-30)35-24-22-29-12-4-5-15-32(29)47(35)53-45/h1-28H.
What are the key properties of 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?
5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 676.78 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 166511613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).