5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole

C160H98N12 — CID 158424109

IUPAC5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccccc7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)c([2H])c1[2H].c1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4nc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)nc5ccccc45)c3c2)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6cc(-c7cc8ccccc8c8ccccc78)ccc6c6cc7ccccc7cc65)c5ccccc5n4)c32)cc1
InChIInChI=1S/C56H34N4.2C52H32N4/c1-2-18-39(19-3-1)59-51-28-13-11-23-43(51)45-25-14-26-47(54(45)59)55-57-50-27-12-10-24-46(50)56(58-55)60-52-34-38(29-30-44(52)49-31-35-15-4-5-16-36(35)33-53(49)60)48-32-37-17-6-7-20-40(37)41-21-8-9-22-42(41)48;1-3-14-33(15-4-1)40-23-13-25-45-50(40)43-30-35-17-7-8-18-36(35)31-48(43)56(45)52-41-22-11-12-24-44(41)53-51(54-52)37-26-28-42-47(32-37)55(38-19-5-2-6-20-38)46-29-27-34-16-9-10-21-39(34)49(42)46;1-3-13-33(14-4-1)37-23-26-41-43-29-35-16-7-8-17-36(35)31-49(43)56(48(41)32-37)52-42-21-11-12-22-45(42)53-51(54-52)38-25-27-46-44(30-38)50-40-20-10-9-15-34(40)24-28-47(50)55(46)39-18-5-2-6-19-39/h1-34H;2*1-32H/i;2D,5D,6D,19D,20D;
InChIKeyHAVMOFNPEFGBRZ-WHVLPBSASA-N
MW2193.66 g/mol
LogP41.55
Rot. Bonds12

About 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole

5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 158424109) has the molecular formula C160H98N12 and a molecular weight of 2193.66 g/mol. Its IUPAC name is 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID158424109
Molecular FormulaC160H98N12
Molecular Weight2193.66 g/mol
Exact Mass2191.84
IUPAC Name5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccccc7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)c([2H])c1[2H].c1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4nc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)nc5ccccc45)c3c2)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6cc(-c7cc8ccccc8c8ccccc78)ccc6c6cc7ccccc7cc65)c5ccccc5n4)c32)cc1
InChIInChI=1S/C56H34N4.2C52H32N4/c1-2-18-39(19-3-1)59-51-28-13-11-23-43(51)45-25-14-26-47(54(45)59)55-57-50-27-12-10-24-46(50)56(58-55)60-52-34-38(29-30-44(52)49-31-35-15-4-5-16-36(35)33-53(49)60)48-32-37-17-6-7-20-40(37)41-21-8-9-22-42(41)48;1-3-14-33(15-4-1)40-23-13-25-45-50(40)43-30-35-17-7-8-18-36(35)31-48(43)56(45)52-41-22-11-12-24-44(41)53-51(54-52)37-26-28-42-47(32-37)55(38-19-5-2-6-20-38)46-29-27-34-16-9-10-21-39(34)49(42)46;1-3-13-33(14-4-1)37-23-26-41-43-29-35-16-7-8-17-36(35)31-49(43)56(48(41)32-37)52-42-21-11-12-22-45(42)53-51(54-52)38-25-27-46-44(30-38)50-40-20-10-9-15-34(40)24-28-47(50)55(46)39-18-5-2-6-19-39/h1-34H;2*1-32H/i;2D,5D,6D,19D,20D;
InChIKeyHAVMOFNPEFGBRZ-WHVLPBSASA-N
XLogP41.55
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.66
LogP ≤ 541.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
CID 158064906
5-(2,7-dinaphthalen-2-ylquinazolin-4-yl)-2-naphthalen-1-ylbenzo[b]carbazole;5-(2-naphthalen-2-yl-6,7-diphenylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;1-naphthalen-1-yl-5-[2-phenyl-6-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 157308018
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
CID 159486049
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 161196328
2-[10-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]quinazoline-4-carbonitrile;2-[3-phenyl-6-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]quinazoline-4-carbonitrile
CID 162048204
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenanthren-3-yl-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-triphenylen-2-ylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,9-diphenylcarbazole
CID 158193193
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 158650135
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]carbazole;3-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 160712276
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916

Frequently Asked Questions

What is the IUPAC name of 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole (CID 158424109) is 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole is [2H]c1c([2H])c([2H])c(-n2c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c(-c7ccccc7)cccc65)c5ccccc5n4)ccc3c3c4ccccc4ccc32)c([2H])c1[2H].c1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4nc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)nc5ccccc45)c3c2)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6cc(-c7cc8ccccc8c8ccccc78)ccc6c6cc7ccccc7cc65)c5ccccc5n4)c32)cc1.
What is the InChIKey of 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is HAVMOFNPEFGBRZ-WHVLPBSASA-N. The full InChI is InChI=1S/C56H34N4.2C52H32N4/c1-2-18-39(19-3-1)59-51-28-13-11-23-43(51)45-25-14-26-47(54(45)59)55-57-50-27-12-10-24-46(50)56(58-55)60-52-34-38(29-30-44(52)49-31-35-15-4-5-16-36(35)33-53(49)60)48-32-37-17-6-7-20-40(37)41-21-8-9-22-42(41)48;1-3-14-33(15-4-1)40-23-13-25-45-50(40)43-30-35-17-7-8-18-36(35)31-48(43)56(45)52-41-22-11-12-24-44(41)53-51(54-52)37-26-28-42-47(32-37)55(38-19-5-2-6-20-38)46-29-27-34-16-9-10-21-39(34)49(42)46;1-3-13-33(14-4-1)37-23-26-41-43-29-35-16-7-8-17-36(35)31-49(43)56(48(41)32-37)52-42-21-11-12-22-45(42)53-51(54-52)38-25-27-46-44(30-38)50-40-20-10-9-15-34(40)24-28-47(50)55(46)39-18-5-2-6-19-39/h1-34H;2*1-32H/i;2D,5D,6D,19D,20D;.
What are the key properties of 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole?
5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 2193.66 g/mol, XLogP of 41.55, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 158424109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).