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

C168H99N11O3 — CID 158683251

IUPAC3-[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
SMILESc1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)c3ccccc3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C58H34N4O.C56H33N3O.C54H32N4O/c1-2-15-38(16-3-1)61-49-24-12-9-19-41(49)45-32-36(27-29-50(45)61)37-28-30-51-47(33-37)55-39-17-5-4-14-35(39)26-31-52(55)62(51)58-59-48-23-11-8-21-43(48)57(60-58)46-34-54-56(42-20-7-6-18-40(42)46)44-22-10-13-25-53(44)63-54;1-3-17-34(18-4-1)44-31-48-53(40-25-11-7-21-36(40)44)54-41-26-12-8-22-37(41)45(35-19-5-2-6-20-35)32-49(54)59(48)56-57-47-29-15-13-27-42(47)55(58-56)46-33-51-52(39-24-10-9-23-38(39)46)43-28-14-16-30-50(43)60-51;1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-34H;1-33H;1-32H
InChIKeyIFKFRJRBWRPXOC-UHFFFAOYSA-N
MW2319.71 g/mol
LogP44.66
Rot. Bonds12

About 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

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 (PubChem CID 158683251) has the molecular formula C168H99N11O3 and a molecular weight of 2319.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158683251
Molecular FormulaC168H99N11O3
Molecular Weight2319.71 g/mol
Exact Mass2317.79
IUPAC Name3-[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
SMILESc1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)c3ccccc3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C58H34N4O.C56H33N3O.C54H32N4O/c1-2-15-38(16-3-1)61-49-24-12-9-19-41(49)45-32-36(27-29-50(45)61)37-28-30-51-47(33-37)55-39-17-5-4-14-35(39)26-31-52(55)62(51)58-59-48-23-11-8-21-43(48)57(60-58)46-34-54-56(42-20-7-6-18-40(42)46)44-22-10-13-25-53(44)63-54;1-3-17-34(18-4-1)44-31-48-53(40-25-11-7-21-36(40)44)54-41-26-12-8-22-37(41)45(35-19-5-2-6-20-35)32-49(54)59(48)56-57-47-29-15-13-27-42(47)55(58-56)46-33-51-52(39-24-10-9-23-38(39)46)43-28-14-16-30-50(43)60-51;1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-34H;1-33H;1-32H
InChIKeyIFKFRJRBWRPXOC-UHFFFAOYSA-N
XLogP44.66
TPSA141.41 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.71
LogP ≤ 544.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
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-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109046
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)c3ccccc3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is IFKFRJRBWRPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O.C56H33N3O.C54H32N4O/c1-2-15-38(16-3-1)61-49-24-12-9-19-41(49)45-32-36(27-29-50(45)61)37-28-30-51-47(33-37)55-39-17-5-4-14-35(39)26-31-52(55)62(51)58-59-48-23-11-8-21-43(48)57(60-58)46-34-54-56(42-20-7-6-18-40(42)46)44-22-10-13-25-53(44)63-54;1-3-17-34(18-4-1)44-31-48-53(40-25-11-7-21-36(40)44)54-41-26-12-8-22-37(41)45(35-19-5-2-6-20-35)32-49(54)59(48)56-57-47-29-15-13-27-42(47)55(58-56)46-33-51-52(39-24-10-9-23-38(39)46)43-28-14-16-30-50(43)60-51;1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-34H;1-33H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2319.71 g/mol, XLogP of 44.66, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158683251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).