2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline

C90H57N5O — CID 161364783

IUPAC2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C46H28N2O.C44H29N3/c1-3-13-29(14-4-1)40-28-42(31-15-5-2-6-16-31)47-43-36-20-10-8-19-35(36)39(27-41(40)43)30-23-25-32(26-24-30)46-48-44-37-21-11-7-17-33(37)34-18-9-12-22-38(34)45(44)49-46;1-4-14-30(15-5-1)38-29-41(32-16-6-2-7-17-32)45-43-36-21-11-10-20-35(36)37(28-39(38)43)31-24-26-33(27-25-31)44-46-40-22-12-13-23-42(40)47(44)34-18-8-3-9-19-34/h1-28H;1-29H
InChIKeyVPRBPPPRXUVDKN-UHFFFAOYSA-N
MW1224.48 g/mol
LogP23.90
Rot. Bonds9

About 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline

2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline (PubChem CID 161364783) has the molecular formula C90H57N5O and a molecular weight of 1224.48 g/mol. Its IUPAC name is 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline
PubChem CID161364783
Molecular FormulaC90H57N5O
Molecular Weight1224.48 g/mol
Exact Mass1223.46
IUPAC Name2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C46H28N2O.C44H29N3/c1-3-13-29(14-4-1)40-28-42(31-15-5-2-6-16-31)47-43-36-20-10-8-19-35(36)39(27-41(40)43)30-23-25-32(26-24-30)46-48-44-37-21-11-7-17-33(37)34-18-9-12-22-38(34)45(44)49-46;1-4-14-30(15-5-1)38-29-41(32-16-6-2-7-17-32)45-43-36-21-11-10-20-35(36)37(28-39(38)43)31-24-26-33(27-25-31)44-46-40-22-12-13-23-42(40)47(44)34-18-8-3-9-19-34/h1-28H;1-29H
InChIKeyVPRBPPPRXUVDKN-UHFFFAOYSA-N
XLogP23.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.48
LogP ≤ 523.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline with MolForge

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Related Compounds

4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 158321652
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 161113557
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
3-phenyl-19-[4-(2-phenylbenzimidazol-1-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414549
4,6-dinaphthalen-1-yl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline;4,6-dinaphthalen-1-yl-2-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline;2-(1,2-diphenylbenzimidazol-5-yl)-4,6-dinaphthalen-1-ylbenzo[h]quinoline
CID 157273193
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline
CID 159316411
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline (CID 161364783) is 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4ccccc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c3n2)cc1.
What is the InChIKey of 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline?
The InChIKey is VPRBPPPRXUVDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O.C44H29N3/c1-3-13-29(14-4-1)40-28-42(31-15-5-2-6-16-31)47-43-36-20-10-8-19-35(36)39(27-41(40)43)30-23-25-32(26-24-30)46-48-44-37-21-11-7-17-33(37)34-18-9-12-22-38(34)45(44)49-46;1-4-14-30(15-5-1)38-29-41(32-16-6-2-7-17-32)45-43-36-21-11-10-20-35(36)37(28-39(38)43)31-24-26-33(27-25-31)44-46-40-22-12-13-23-42(40)47(44)34-18-8-3-9-19-34/h1-28H;1-29H.
What are the key properties of 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline?
2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 1224.48 g/mol, XLogP of 23.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-diphenylbenzo[h]quinolin-6-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2,4-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 161364783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).