2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline

C178H127N9O — CID 160751313

IUPAC2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)cc4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c4ccccc34)ccc2c1
InChIInChI=1S/C44H28.C42H26N4.C38H24.C30H27N3.C24H22N2O/c1-2-12-33-26-34(25-20-29(33)10-1)42-28-44-39-17-7-5-15-37(39)41(27-43(44)40-18-8-6-16-38(40)42)32-23-21-31(22-24-32)36-19-9-13-30-11-3-4-14-35(30)36;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-11-27-21-29(19-17-25(27)9-1)35-23-37-34-16-8-6-14-32(34)36(24-38(37)33-15-7-5-13-31(33)35)30-20-18-26-10-2-4-12-28(26)22-30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;1-26H;1-24H;4-21H,1-3H3;4-16H,1-3H3
InChIKeyRWVXANRFPALJKT-UHFFFAOYSA-N
MW2408.04 g/mol
LogP47.72
Rot. Bonds16

About 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline

2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 160751313) has the molecular formula C178H127N9O and a molecular weight of 2408.04 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID160751313
Molecular FormulaC178H127N9O
Molecular Weight2408.04 g/mol
Exact Mass2406.02
IUPAC Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)cc4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c4ccccc34)ccc2c1
InChIInChI=1S/C44H28.C42H26N4.C38H24.C30H27N3.C24H22N2O/c1-2-12-33-26-34(25-20-29(33)10-1)42-28-44-39-17-7-5-15-37(39)41(27-43(44)40-18-8-6-16-38(40)42)32-23-21-31(22-24-32)36-19-9-13-30-11-3-4-14-35(30)36;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-11-27-21-29(19-17-25(27)9-1)35-23-37-34-16-8-6-14-32(34)36(24-38(37)33-15-7-5-13-31(33)35)30-20-18-26-10-2-4-12-28(26)22-30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;1-26H;1-24H;4-21H,1-3H3;4-16H,1-3H3
InChIKeyRWVXANRFPALJKT-UHFFFAOYSA-N
XLogP47.72
TPSA121.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002408.04
LogP ≤ 547.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline (CID 160751313) is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)cc4c4ccccc34)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c4ccccc34)ccc2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is RWVXANRFPALJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28.C42H26N4.C38H24.C30H27N3.C24H22N2O/c1-2-12-33-26-34(25-20-29(33)10-1)42-28-44-39-17-7-5-15-37(39)41(27-43(44)40-18-8-6-16-38(40)42)32-23-21-31(22-24-32)36-19-9-13-30-11-3-4-14-35(30)36;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-11-27-21-29(19-17-25(27)9-1)35-23-37-34-16-8-6-14-32(34)36(24-38(37)33-15-7-5-13-31(33)35)30-20-18-26-10-2-4-12-28(26)22-30;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;1-26H;1-24H;4-21H,1-3H3;4-16H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline?
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 2408.04 g/mol, XLogP of 47.72, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;6,12-dinaphthalen-2-ylchrysene;6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)chrysene;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160751313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).