2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline

C145H90N12 — CID 165105300

IUPAC2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
SMILESc1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)ccc5nc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C52H32N4.C47H30N4.C46H28N4/c1-4-11-33(12-5-1)44-29-25-42-47(53-44)30-24-41-43-32-39(23-28-48(43)56-50(49(41)42)35-15-8-3-9-16-35)38-17-10-18-40(31-38)46-27-22-37-20-19-36-21-26-45(34-13-6-2-7-14-34)54-51(36)52(37)55-46;1-4-13-31(14-5-1)40-27-25-38-41(48-40)28-24-37-39-30-35(23-26-42(39)49-46(45(37)38)32-15-6-2-7-16-32)34-19-12-20-36(29-34)51-44-22-11-10-21-43(44)50-47(51)33-17-8-3-9-18-33;1-3-9-29(10-4-1)39-24-21-37-41(48-39)25-20-36-38-28-34(19-23-42(38)50-44(43(36)37)30-11-5-2-6-12-30)33-13-7-14-35(27-33)40-22-18-32-17-16-31-15-8-26-47-45(31)46(32)49-40/h1-32H;1-30H;1-28H
InChIKeyZAEZZFKANCCLFK-UHFFFAOYSA-N
MW2000.40 g/mol
LogP37.01
Rot. Bonds14

About 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline

2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline (PubChem CID 165105300) has the molecular formula C145H90N12 and a molecular weight of 2000.40 g/mol. Its IUPAC name is 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline.

Molecular Properties

Compound Name2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
PubChem CID165105300
Molecular FormulaC145H90N12
Molecular Weight2000.40 g/mol
Exact Mass1998.74
IUPAC Name2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
SMILESc1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)ccc5nc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C52H32N4.C47H30N4.C46H28N4/c1-4-11-33(12-5-1)44-29-25-42-47(53-44)30-24-41-43-32-39(23-28-48(43)56-50(49(41)42)35-15-8-3-9-16-35)38-17-10-18-40(31-38)46-27-22-37-20-19-36-21-26-45(34-13-6-2-7-14-34)54-51(36)52(37)55-46;1-4-13-31(14-5-1)40-27-25-38-41(48-40)28-24-37-39-30-35(23-26-42(39)49-46(45(37)38)32-15-6-2-7-16-32)34-19-12-20-36(29-34)51-44-22-11-10-21-43(44)50-47(51)33-17-8-3-9-18-33;1-3-9-29(10-4-1)39-24-21-37-41(48-39)25-20-36-38-28-34(19-23-42(38)50-44(43(36)37)30-11-5-2-6-12-30)33-13-7-14-35(27-33)40-22-18-32-17-16-31-15-8-26-47-45(31)46(32)49-40/h1-32H;1-30H;1-28H
InChIKeyZAEZZFKANCCLFK-UHFFFAOYSA-N
XLogP37.01
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.40
LogP ≤ 537.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline with MolForge

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Related Compounds

14-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122242
3-[4-(1,10-phenanthrolin-2-yl)phenyl]-20-phenyl-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene;20-phenyl-3-(4-triphenylen-2-ylphenyl)-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 165109466
9,21-diphenyl-16-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-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 163507734
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;1-phenyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;2-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 158734176
2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine
CID 154611778
2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 158742233
1-(4-perylen-3-ylphenyl)-2-phenylbenzimidazole;2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline;6-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenanthridine;3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenanthro[9,10-b]pyrazine;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-1-(3-pyren-1-ylphenyl)benzimidazole
CID 158250181
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 161107449
3-[4-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;2-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 159402578
7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
CID 164779348

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline?
The IUPAC name of 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline (CID 165105300) is 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline.
What is the SMILES notation for 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline?
The canonical SMILES for 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline is c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-c7ccc8ccc9cccnc9c8n7)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.c1ccc(-c2ccc3c(ccc4c5cc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)ccc5nc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline?
The InChIKey is ZAEZZFKANCCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C47H30N4.C46H28N4/c1-4-11-33(12-5-1)44-29-25-42-47(53-44)30-24-41-43-32-39(23-28-48(43)56-50(49(41)42)35-15-8-3-9-16-35)38-17-10-18-40(31-38)46-27-22-37-20-19-36-21-26-45(34-13-6-2-7-14-34)54-51(36)52(37)55-46;1-4-13-31(14-5-1)40-27-25-38-41(48-40)28-24-37-39-30-35(23-26-42(39)49-46(45(37)38)32-15-6-2-7-16-32)34-19-12-20-36(29-34)51-44-22-11-10-21-43(44)50-47(51)33-17-8-3-9-18-33;1-3-9-29(10-4-1)39-24-21-37-41(48-39)25-20-36-38-28-34(19-23-42(38)50-44(43(36)37)30-11-5-2-6-12-30)33-13-7-14-35(27-33)40-22-18-32-17-16-31-15-8-26-47-45(31)46(32)49-40/h1-32H;1-30H;1-28H.
What are the key properties of 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline?
2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline has a molecular weight of 2000.40 g/mol, XLogP of 37.01, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline is sourced from PubChem (CID 165105300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).