5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole

C58H35N3O — CID 156564490

IUPAC5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1
InChIInChI=1S/C58H35N3O/c1-4-16-36(17-5-1)41-28-29-51-48(30-41)55-44-25-13-12-24-43(44)46(37-18-6-2-7-19-37)35-52(55)61(51)58-59-50-27-15-14-26-45(50)57(60-58)42-32-47(38-20-8-3-9-21-38)56-49-31-39-22-10-11-23-40(39)33-53(49)62-54(56)34-42/h1-35H
InChIKeySSKUUGYTSQSQHR-UHFFFAOYSA-N
MW789.94 g/mol
LogP15.60
Rot. Bonds5

About 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole

5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 156564490) has the molecular formula C58H35N3O and a molecular weight of 789.94 g/mol. Its IUPAC name is 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID156564490
Molecular FormulaC58H35N3O
Molecular Weight789.94 g/mol
Exact Mass789.28
IUPAC Name5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1
InChIInChI=1S/C58H35N3O/c1-4-16-36(17-5-1)41-28-29-51-48(30-41)55-44-25-13-12-24-43(44)46(37-18-6-2-7-19-37)35-52(55)61(51)58-59-50-27-15-14-26-45(50)57(60-58)42-32-47(38-20-8-3-9-21-38)56-49-31-39-22-10-11-23-40(39)33-53(49)62-54(56)34-42/h1-35H
InChIKeySSKUUGYTSQSQHR-UHFFFAOYSA-N
XLogP15.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.94
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-phenyl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 156564267
10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166511416
9,15-diphenyl-12-[4-(4-phenylphenyl)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 131999012
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)-9,15-diphenyl-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;7-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158683251
9,15-diphenyl-12-(4-phenylquinazolin-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 131999013
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
9-phenyl-12-[4-(3-phenylphenyl)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 130467267
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
21-dibenzofuran-3-yl-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335501

Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole (CID 156564490) is 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1.
What is the InChIKey of 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is SSKUUGYTSQSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O/c1-4-16-36(17-5-1)41-28-29-51-48(30-41)55-44-25-13-12-24-43(44)46(37-18-6-2-7-19-37)35-52(55)61(51)58-59-50-27-15-14-26-45(50)57(60-58)42-32-47(38-20-8-3-9-21-38)56-49-31-39-22-10-11-23-40(39)33-53(49)62-54(56)34-42/h1-35H.
What are the key properties of 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole?
5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 789.94 g/mol, XLogP of 15.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 156564490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).