6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline

C57H38N2 — CID 121441288

IUPAC6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-54(45-30-26-42(27-31-45)40-16-6-2-7-17-40)58-57-50-22-12-11-21-49(50)51(37-53(52)57)44-32-34-48(35-33-44)59-55-23-13-10-20-47(55)36-56(59)46-18-8-3-9-19-46/h1-38H
InChIKeyVGARNNZGWPVAOB-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.33
Rot. Bonds7

About 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline

6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline (PubChem CID 121441288) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
PubChem CID121441288
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-54(45-30-26-42(27-31-45)40-16-6-2-7-17-40)58-57-50-22-12-11-21-49(50)51(37-53(52)57)44-32-34-48(35-33-44)59-55-23-13-10-20-47(55)36-56(59)46-18-8-3-9-19-46/h1-38H
InChIKeyVGARNNZGWPVAOB-UHFFFAOYSA-N
XLogP15.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole
CID 145105553
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 157403455
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
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
9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?
The IUPAC name of 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline (CID 121441288) is 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline.
What is the SMILES notation for 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?
The canonical SMILES for 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?
The InChIKey is VGARNNZGWPVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-54(45-30-26-42(27-31-45)40-16-6-2-7-17-40)58-57-50-22-12-11-21-49(50)51(37-53(52)57)44-32-34-48(35-33-44)59-55-23-13-10-20-47(55)36-56(59)46-18-8-3-9-19-46/h1-38H.
What are the key properties of 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?
6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline has a molecular weight of 750.95 g/mol, XLogP of 15.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylindol-1-yl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline is sourced from PubChem (CID 121441288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).