3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C212H128N14OS — CID 157055686

IUPAC3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)c(C)cc1-c1ccccc1.c1cc2ccc3ccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc5ccccc45)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)cc1.c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc2c1
InChIInChI=1S/C58H40N4.C54H32N4.C52H29N3S.C48H27N3O/c1-37-34-49(38(2)33-48(37)39-15-5-3-6-16-39)40-25-27-41(28-26-40)57-47-21-9-12-22-52(47)59-58(60-57)62-54-24-14-11-20-46(54)51-36-43(30-32-56(51)62)42-29-31-55-50(35-42)45-19-10-13-23-53(45)61(55)44-17-7-4-8-18-44;1-2-13-35(14-3-1)57-48-23-10-7-17-38(48)45-31-33(25-29-50(45)57)34-26-30-51-46(32-34)39-18-8-11-24-49(39)58(51)54-55-47-22-9-6-19-44(47)53(56-54)43-28-27-42-37-16-5-4-15-36(37)40-20-12-21-41(43)52(40)42;1-4-19-44-41(14-1)51(40-25-24-39-36-16-8-11-30-10-7-15-35(49(30)36)37-17-9-18-38(40)50(37)39)54-52(53-44)55-45-20-5-2-12-33(45)42-28-31(22-26-46(42)55)32-23-27-48-43(29-32)34-13-3-6-21-47(34)56-48;1-4-13-40-37(12-1)47(36-23-19-30-17-16-28-8-7-9-29-18-22-35(36)46(30)45(28)29)50-48(49-40)51-41-14-5-2-10-33(41)38-26-31(20-24-42(38)51)32-21-25-44-39(27-32)34-11-3-6-15-43(34)52-44/h3-36H,1-2H3;1-32H;1-29H;1-27H
InChIKeyAASOSXAYHPNEPZ-UHFFFAOYSA-N
MW2919.52 g/mol
LogP56.40
Rot. Bonds16

About 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 157055686) has the molecular formula C212H128N14OS and a molecular weight of 2919.52 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID157055686
Molecular FormulaC212H128N14OS
Molecular Weight2919.52 g/mol
Exact Mass2917.01
IUPAC Name3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)c(C)cc1-c1ccccc1.c1cc2ccc3ccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc5ccccc45)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)cc1.c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc2c1
InChIInChI=1S/C58H40N4.C54H32N4.C52H29N3S.C48H27N3O/c1-37-34-49(38(2)33-48(37)39-15-5-3-6-16-39)40-25-27-41(28-26-40)57-47-21-9-12-22-52(47)59-58(60-57)62-54-24-14-11-20-46(54)51-36-43(30-32-56(51)62)42-29-31-55-50(35-42)45-19-10-13-23-53(45)61(55)44-17-7-4-8-18-44;1-2-13-35(14-3-1)57-48-23-10-7-17-38(48)45-31-33(25-29-50(45)57)34-26-30-51-46(32-34)39-18-8-11-24-49(39)58(51)54-55-47-22-9-6-19-44(47)53(56-54)43-28-27-42-37-16-5-4-15-36(37)40-20-12-21-41(43)52(40)42;1-4-19-44-41(14-1)51(40-25-24-39-36-16-8-11-30-10-7-15-35(49(30)36)37-17-9-18-38(40)50(37)39)54-52(53-44)55-45-20-5-2-12-33(45)42-28-31(22-26-46(42)55)32-23-27-48-43(29-32)34-13-3-6-21-47(34)56-48;1-4-13-40-37(12-1)47(36-23-19-30-17-16-28-8-7-9-29-18-22-35(36)46(30)45(28)29)50-48(49-40)51-41-14-5-2-10-33(41)38-26-31(20-24-42(38)51)32-21-25-44-39(27-32)34-11-3-6-15-43(34)52-44/h3-36H,1-2H3;1-32H;1-29H;1-27H
InChIKeyAASOSXAYHPNEPZ-UHFFFAOYSA-N
XLogP56.40
TPSA145.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.52
LogP ≤ 556.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 157055686) is 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is Cc1cc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)c(C)cc1-c1ccccc1.c1cc2ccc3ccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc5ccccc45)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc5n4)ccc32)cc1.c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc2c1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is AASOSXAYHPNEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4.C54H32N4.C52H29N3S.C48H27N3O/c1-37-34-49(38(2)33-48(37)39-15-5-3-6-16-39)40-25-27-41(28-26-40)57-47-21-9-12-22-52(47)59-58(60-57)62-54-24-14-11-20-46(54)51-36-43(30-32-56(51)62)42-29-31-55-50(35-42)45-19-10-13-23-53(45)61(55)44-17-7-4-8-18-44;1-2-13-35(14-3-1)57-48-23-10-7-17-38(48)45-31-33(25-29-50(45)57)34-26-30-51-46(32-34)39-18-8-11-24-49(39)58(51)54-55-47-22-9-6-19-44(47)53(56-54)43-28-27-42-37-16-5-4-15-36(37)40-20-12-21-41(43)52(40)42;1-4-19-44-41(14-1)51(40-25-24-39-36-16-8-11-30-10-7-15-35(49(30)36)37-17-9-18-38(40)50(37)39)54-52(53-44)55-45-20-5-2-12-33(45)42-28-31(22-26-46(42)55)32-23-27-48-43(29-32)34-13-3-6-21-47(34)56-48;1-4-13-40-37(12-1)47(36-23-19-30-17-16-28-8-7-9-29-18-22-35(36)46(30)45(28)29)50-48(49-40)51-41-14-5-2-10-33(41)38-26-31(20-24-42(38)51)32-21-25-44-39(27-32)34-11-3-6-15-43(34)52-44/h3-36H,1-2H3;1-32H;1-29H;1-27H.
What are the key properties of 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 2919.52 g/mol, XLogP of 56.40, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(4-pyren-1-ylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole;3-[9-[4-[4-(2,5-dimethyl-4-phenylphenyl)phenyl]quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 157055686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).