8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline

C165H101N13 — CID 164958587

IUPAC8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccc6ccccc6c5)nc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1
InChIInChI=1S/C62H38N4.C55H33N5.C48H30N4/c1-2-15-40(16-3-1)61-60-53(32-28-41-30-33-54(63-62(41)60)44-27-26-39-14-4-5-17-42(39)34-44)48-31-29-43(37-55(48)64-61)45-35-46(65-56-22-10-6-18-49(56)50-19-7-11-23-57(50)65)38-47(36-45)66-58-24-12-8-20-51(58)52-21-9-13-25-59(52)66;1-2-13-37(14-3-1)51-50-47(28-24-38-26-29-48(56-52(38)50)42-21-18-34-10-4-7-15-39(34)30-42)46-27-25-45(33-49(46)57-51)55-59-53(43-22-19-35-11-5-8-16-40(35)31-43)58-54(60-55)44-23-20-36-12-6-9-17-41(36)32-44;1-4-13-32(14-5-1)42-30-43(52-48(51-42)35-17-8-3-9-18-35)38-23-25-39-40-26-22-34-24-27-41(37-21-20-31-12-10-11-19-36(31)28-37)49-47(34)45(40)46(50-44(39)29-38)33-15-6-2-7-16-33/h1-38H;1-33H;1-30H
InChIKeyBNBKMCPPRURGOC-UHFFFAOYSA-N
MW2265.71 g/mol
LogP42.41
Rot. Bonds15

About 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline

8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline (PubChem CID 164958587) has the molecular formula C165H101N13 and a molecular weight of 2265.71 g/mol. Its IUPAC name is 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline.

Molecular Properties

Compound Name8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline
PubChem CID164958587
Molecular FormulaC165H101N13
Molecular Weight2265.71 g/mol
Exact Mass2263.83
IUPAC Name8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccc6ccccc6c5)nc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1
InChIInChI=1S/C62H38N4.C55H33N5.C48H30N4/c1-2-15-40(16-3-1)61-60-53(32-28-41-30-33-54(63-62(41)60)44-27-26-39-14-4-5-17-42(39)34-44)48-31-29-43(37-55(48)64-61)45-35-46(65-56-22-10-6-18-49(56)50-19-7-11-23-57(50)65)38-47(36-45)66-58-24-12-8-20-51(58)52-21-9-13-25-59(52)66;1-2-13-37(14-3-1)51-50-47(28-24-38-26-29-48(56-52(38)50)42-21-18-34-10-4-7-15-39(34)30-42)46-27-25-45(33-49(46)57-51)55-59-53(43-22-19-35-11-5-8-16-40(35)31-43)58-54(60-55)44-23-20-36-12-6-9-17-41(36)32-44;1-4-13-32(14-5-1)42-30-43(52-48(51-42)35-17-8-3-9-18-35)38-23-25-39-40-26-22-34-24-27-41(37-21-20-31-12-10-11-19-36(31)28-37)49-47(34)45(40)46(50-44(39)29-38)33-15-6-2-7-16-33/h1-38H;1-33H;1-30H
InChIKeyBNBKMCPPRURGOC-UHFFFAOYSA-N
XLogP42.41
TPSA151.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.71
LogP ≤ 542.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline with MolForge

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Related Compounds

5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 164811038
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 165024798
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
17-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 149267202
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 165102432
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 164810906
17-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 147474251
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 157409017
18-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 166584471

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline?
The IUPAC name of 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline (CID 164958587) is 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline.
What is the SMILES notation for 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline?
The canonical SMILES for 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline is c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3c4ccc4ccc(-c5ccc6ccccc6c5)nc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc4ccc(-c5ccc6ccccc6c5)nc4c23)cc1.
What is the InChIKey of 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline?
The InChIKey is BNBKMCPPRURGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4.C55H33N5.C48H30N4/c1-2-15-40(16-3-1)61-60-53(32-28-41-30-33-54(63-62(41)60)44-27-26-39-14-4-5-17-42(39)34-44)48-31-29-43(37-55(48)64-61)45-35-46(65-56-22-10-6-18-49(56)50-19-7-11-23-57(50)65)38-47(36-45)66-58-24-12-8-20-51(58)52-21-9-13-25-59(52)66;1-2-13-37(14-3-1)51-50-47(28-24-38-26-29-48(56-52(38)50)42-21-18-34-10-4-7-15-39(34)30-42)46-27-25-45(33-49(46)57-51)55-59-53(43-22-19-35-11-5-8-16-40(35)31-43)58-54(60-55)44-23-20-36-12-6-9-17-41(36)32-44;1-4-13-32(14-5-1)42-30-43(52-48(51-42)35-17-8-3-9-18-35)38-23-25-39-40-26-22-34-24-27-41(37-21-20-31-12-10-11-19-36(31)28-37)49-47(34)45(40)46(50-44(39)29-38)33-15-6-2-7-16-33/h1-38H;1-33H;1-30H.
What are the key properties of 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline?
8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline has a molecular weight of 2265.71 g/mol, XLogP of 42.41, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-di(carbazol-9-yl)phenyl]-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;8-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline is sourced from PubChem (CID 164958587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).