7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline

C97H58N8 — CID 164978520

IUPAC7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)cc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C97H58N8/c1-2-20-70(21-3-1)105-90-33-15-11-29-85(90)102-97(105)68-44-46-73(65-40-38-64-53-67(41-39-63(64)52-65)92-78-26-5-10-28-84(78)101-96-80(92)48-43-62-19-17-51-99-94(62)96)81(57-68)66-45-49-89-82(56-66)76-24-8-14-32-88(76)104(89)72-55-69(54-71(58-72)103-86-30-12-6-22-74(86)75-23-7-13-31-87(75)103)59-34-36-60(37-35-59)91-77-25-4-9-27-83(77)100-95-79(91)47-42-61-18-16-50-98-93(61)95/h1-58H
InChIKeyFDBZSLIQYMEYBM-UHFFFAOYSA-N
MW1335.59 g/mol
LogP24.87
Rot. Bonds9

About 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline

7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline (PubChem CID 164978520) has the molecular formula C97H58N8 and a molecular weight of 1335.59 g/mol. Its IUPAC name is 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
PubChem CID164978520
Molecular FormulaC97H58N8
Molecular Weight1335.59 g/mol
Exact Mass1334.48
IUPAC Name7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)cc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C97H58N8/c1-2-20-70(21-3-1)105-90-33-15-11-29-85(90)102-97(105)68-44-46-73(65-40-38-64-53-67(41-39-63(64)52-65)92-78-26-5-10-28-84(78)101-96-80(92)48-43-62-19-17-51-99-94(62)96)81(57-68)66-45-49-89-82(56-66)76-24-8-14-32-88(76)104(89)72-55-69(54-71(58-72)103-86-30-12-6-22-74(86)75-23-7-13-31-87(75)103)59-34-36-60(37-35-59)91-77-25-4-9-27-83(77)100-95-79(91)47-42-61-18-16-50-98-93(61)95/h1-58H
InChIKeyFDBZSLIQYMEYBM-UHFFFAOYSA-N
XLogP24.87
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.59
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 160969507
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445756
7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502686
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline (CID 164978520) is 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline is c1ccc(-n2c(-c3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)c(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)cc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is FDBZSLIQYMEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H58N8/c1-2-20-70(21-3-1)105-90-33-15-11-29-85(90)102-97(105)68-44-46-73(65-40-38-64-53-67(41-39-63(64)52-65)92-78-26-5-10-28-84(78)101-96-80(92)48-43-62-19-17-51-99-94(62)96)81(57-68)66-45-49-89-82(56-66)76-24-8-14-32-88(76)104(89)72-55-69(54-71(58-72)103-86-30-12-6-22-74(86)75-23-7-13-31-87(75)103)59-34-36-60(37-35-59)91-77-25-4-9-27-83(77)100-95-79(91)47-42-61-18-16-50-98-93(61)95/h1-58H.
What are the key properties of 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline?
7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline has a molecular weight of 1335.59 g/mol, XLogP of 24.87, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 164978520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).