5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline

C75H55BN6O2 — CID 165059653

IUPAC5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline
SMILESCC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5nc(-c6ccccc6)ccc5c34)cc2)OC1(C)C.c1ccc(-c2ccc3c(ccc4c5ccccc5nc(-c5ccc(-c6cccc(-c7cn8ccccc8n7)c6)cc5)c34)n2)cc1
InChIInChI=1S/C41H26N4.C34H29BN2O2/c1-2-9-28(10-3-1)35-22-21-34-37(42-35)23-20-33-32-13-4-5-14-36(32)44-41(40(33)34)29-18-16-27(17-19-29)30-11-8-12-31(25-30)38-26-45-24-7-6-15-39(45)43-38;1-33(2)34(3,4)39-35(38-33)24-16-14-23(15-17-24)32-31-26(25-12-8-9-13-29(25)37-32)18-21-30-27(31)19-20-28(36-30)22-10-6-5-7-11-22/h1-26H;5-21H,1-4H3
InChIKeyQZKDHEHQDYKNKG-UHFFFAOYSA-N
MW1083.12 g/mol
LogP17.82
Rot. Bonds7

About 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline

5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline (PubChem CID 165059653) has the molecular formula C75H55BN6O2 and a molecular weight of 1083.12 g/mol. Its IUPAC name is 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline.

Molecular Properties

Compound Name5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline
PubChem CID165059653
Molecular FormulaC75H55BN6O2
Molecular Weight1083.12 g/mol
Exact Mass1082.45
IUPAC Name5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline
SMILESCC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5nc(-c6ccccc6)ccc5c34)cc2)OC1(C)C.c1ccc(-c2ccc3c(ccc4c5ccccc5nc(-c5ccc(-c6cccc(-c7cn8ccccc8n7)c6)cc5)c34)n2)cc1
InChIInChI=1S/C41H26N4.C34H29BN2O2/c1-2-9-28(10-3-1)35-22-21-34-37(42-35)23-20-33-32-13-4-5-14-36(32)44-41(40(33)34)29-18-16-27(17-19-29)30-11-8-12-31(25-30)38-26-45-24-7-6-15-39(45)43-38;1-33(2)34(3,4)39-35(38-33)24-16-14-23(15-17-24)32-31-26(25-12-8-9-13-29(25)37-32)18-21-30-27(31)19-20-28(36-30)22-10-6-5-7-11-22/h1-26H;5-21H,1-4H3
InChIKeyQZKDHEHQDYKNKG-UHFFFAOYSA-N
XLogP17.82
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.12
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline with MolForge

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Related Compounds

22-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157461860
9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393079
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)phenanthridine;6-(3-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
CID 157366789
4-phenyl-6-(3-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140797020
4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498900
4-phenyl-6-[4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolin-6-yl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 58789449
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline
CID 164810903
2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796956
1-methyl-7-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indolizino[7,8-c]quinoline
CID 163773121
7-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 123979277
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
CID 164810924
6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
CID 122665237

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline?
The IUPAC name of 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline (CID 165059653) is 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline.
What is the SMILES notation for 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline?
The canonical SMILES for 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline is CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5nc(-c6ccccc6)ccc5c34)cc2)OC1(C)C.c1ccc(-c2ccc3c(ccc4c5ccccc5nc(-c5ccc(-c6cccc(-c7cn8ccccc8n7)c6)cc5)c34)n2)cc1.
What is the InChIKey of 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline?
The InChIKey is QZKDHEHQDYKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4.C34H29BN2O2/c1-2-9-28(10-3-1)35-22-21-34-37(42-35)23-20-33-32-13-4-5-14-36(32)44-41(40(33)34)29-18-16-27(17-19-29)30-11-8-12-31(25-30)38-26-45-24-7-6-15-39(45)43-38;1-33(2)34(3,4)39-35(38-33)24-16-14-23(15-17-24)32-31-26(25-12-8-9-13-29(25)37-32)18-21-30-27(31)19-20-28(36-30)22-10-6-5-7-11-22/h1-26H;5-21H,1-4H3.
What are the key properties of 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline?
5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline has a molecular weight of 1083.12 g/mol, XLogP of 17.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline;2-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c][2,7]phenanthroline is sourced from PubChem (CID 165059653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).