2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline

C183H112N10OS — CID 157370152

IUPAC2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5o4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)nc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5ccc6ccc(-c7cccc(-c8c9ccccc9c(-c9cccc%10ccccc9%10)c9ccccc89)c7)nc6c5n4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9nc%10ccccc%10s9)cc8)nc7c6n5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C67H41N3O.C61H38N4.C55H33N3S/c1-3-16-43(17-4-1)57-40-60(45-30-34-47(35-31-45)63-51-23-9-11-25-53(51)64(54-26-12-10-24-52(54)63)50-27-15-21-42-20-7-8-22-49(42)50)68-65-55(57)38-39-56-58(44-18-5-2-6-19-44)41-61(69-66(56)65)46-32-36-48(37-33-46)67-70-59-28-13-14-29-62(59)71-67;1-2-18-46(19-3-1)65-56-27-11-10-26-55(56)64-61(65)43-32-28-40(29-33-43)53-36-34-41-30-31-42-35-37-54(63-60(42)59(41)62-53)44-16-12-17-45(38-44)57-49-21-6-8-23-51(49)58(52-24-9-7-22-50(52)57)48-25-13-15-39-14-4-5-20-47(39)48;1-2-10-41-33-42(28-17-34(41)9-1)52-45-13-5-3-11-43(45)51(44-12-4-6-14-46(44)52)37-22-18-35(19-23-37)47-31-29-38-24-25-39-30-32-48(57-54(39)53(38)56-47)36-20-26-40(27-21-36)55-58-49-15-7-8-16-50(49)59-55/h1-41H;1-38H;1-33H
InChIKeyBJQYGPBQDLPNHV-UHFFFAOYSA-N
MW2499.04 g/mol
LogP49.16
Rot. Bonds18

About 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline

2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 157370152) has the molecular formula C183H112N10OS and a molecular weight of 2499.04 g/mol. Its IUPAC name is 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
PubChem CID157370152
Molecular FormulaC183H112N10OS
Molecular Weight2499.04 g/mol
Exact Mass2496.87
IUPAC Name2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5o4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)nc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5ccc6ccc(-c7cccc(-c8c9ccccc9c(-c9cccc%10ccccc9%10)c9ccccc89)c7)nc6c5n4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9nc%10ccccc%10s9)cc8)nc7c6n5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C67H41N3O.C61H38N4.C55H33N3S/c1-3-16-43(17-4-1)57-40-60(45-30-34-47(35-31-45)63-51-23-9-11-25-53(51)64(54-26-12-10-24-52(54)63)50-27-15-21-42-20-7-8-22-49(42)50)68-65-55(57)38-39-56-58(44-18-5-2-6-19-44)41-61(69-66(56)65)46-32-36-48(37-33-46)67-70-59-28-13-14-29-62(59)71-67;1-2-18-46(19-3-1)65-56-27-11-10-26-55(56)64-61(65)43-32-28-40(29-33-43)53-36-34-41-30-31-42-35-37-54(63-60(42)59(41)62-53)44-16-12-17-45(38-44)57-49-21-6-8-23-51(49)58(52-24-9-7-22-50(52)57)48-25-13-15-39-14-4-5-20-47(39)48;1-2-10-41-33-42(28-17-34(41)9-1)52-45-13-5-3-11-43(45)51(44-12-4-6-14-46(44)52)37-22-18-35(19-23-37)47-31-29-38-24-25-39-30-32-48(57-54(39)53(38)56-47)36-20-26-40(27-21-36)55-58-49-15-7-8-16-50(49)59-55/h1-41H;1-38H;1-33H
InChIKeyBJQYGPBQDLPNHV-UHFFFAOYSA-N
XLogP49.16
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.04
LogP ≤ 549.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline (CID 157370152) is 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5o4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)nc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5ccc6ccc(-c7cccc(-c8c9ccccc9c(-c9cccc%10ccccc9%10)c9ccccc89)c7)nc6c5n4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9nc%10ccccc%10s9)cc8)nc7c6n5)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is BJQYGPBQDLPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N3O.C61H38N4.C55H33N3S/c1-3-16-43(17-4-1)57-40-60(45-30-34-47(35-31-45)63-51-23-9-11-25-53(51)64(54-26-12-10-24-52(54)63)50-27-15-21-42-20-7-8-22-49(42)50)68-65-55(57)38-39-56-58(44-18-5-2-6-19-44)41-61(69-66(56)65)46-32-36-48(37-33-46)67-70-59-28-13-14-29-62(59)71-67;1-2-18-46(19-3-1)65-56-27-11-10-26-55(56)64-61(65)43-32-28-40(29-33-43)53-36-34-41-30-31-42-35-37-54(63-60(42)59(41)62-53)44-16-12-17-45(38-44)57-49-21-6-8-23-51(49)58(52-24-9-7-22-50(52)57)48-25-13-15-39-14-4-5-20-47(39)48;1-2-10-41-33-42(28-17-34(41)9-1)52-45-13-5-3-11-43(45)51(44-12-4-6-14-46(44)52)37-22-18-35(19-23-37)47-31-29-38-24-25-39-30-32-48(57-54(39)53(38)56-47)36-20-26-40(27-21-36)55-58-49-15-7-8-16-50(49)59-55/h1-41H;1-38H;1-33H.
What are the key properties of 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline?
2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 2499.04 g/mol, XLogP of 49.16, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzothiazole;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 157370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).