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

C56H33N3O — CID 166511416

IUPAC10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C56H33N3O/c1-2-13-35(14-3-1)45-31-42(32-47-46-29-38-17-6-7-18-39(38)33-52(46)60-55(45)47)54-44-20-10-11-21-49(44)57-56(58-54)59-50-26-25-41(40-23-22-34-12-4-5-16-37(34)28-40)30-48(50)53-43-19-9-8-15-36(43)24-27-51(53)59/h1-33H
InChIKeyHBTUFHZYSDVHNS-UHFFFAOYSA-N
MW763.90 g/mol
LogP15.09
Rot. Bonds4

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

10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 166511416) has the molecular formula C56H33N3O and a molecular weight of 763.90 g/mol. Its IUPAC name is 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID166511416
Molecular FormulaC56H33N3O
Molecular Weight763.90 g/mol
Exact Mass763.26
IUPAC Name10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C56H33N3O/c1-2-13-35(14-3-1)45-31-42(32-47-46-29-38-17-6-7-18-39(38)33-52(46)60-55(45)47)54-44-20-10-11-21-49(44)57-56(58-54)59-50-26-25-41(40-23-22-34-12-4-5-16-37(34)28-40)30-48(50)53-43-19-9-8-15-36(43)24-27-51(53)59/h1-33H
InChIKeyHBTUFHZYSDVHNS-UHFFFAOYSA-N
XLogP15.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 515.09
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
5,10-diphenyl-7-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 156564490
12-(4-naphtho[2,3-b][1]benzofuran-4-ylquinazolin-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 166511420
15-phenyl-13-(10-phenylbenzo[c]carbazol-7-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371134
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
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
12-[4-(4-naphthalen-2-ylphenyl)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 118535711
12-(4-naphthalen-2-yl-7-phenylquinazolin-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 139361469
12-(4-dibenzofuran-2-ylquinazolin-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 129149691
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole (CID 166511416) is 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2cc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is HBTUFHZYSDVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O/c1-2-13-35(14-3-1)45-31-42(32-47-46-29-38-17-6-7-18-39(38)33-52(46)60-55(45)47)54-44-20-10-11-21-49(44)57-56(58-54)59-50-26-25-41(40-23-22-34-12-4-5-16-37(34)28-40)30-48(50)53-43-19-9-8-15-36(43)24-27-51(53)59/h1-33H.
What are the key properties of 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole?
10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 763.90 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 166511416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).