11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole

C57H36N4 — CID 126500778

IUPAC11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)57-58-53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)54(53)61(57)42-21-15-20-41(36-42)60-52-29-14-12-25-46(52)50-35-34-49-45-24-11-13-28-51(45)59(55(49)56(50)60)40-18-5-2-6-19-40/h1-36H
InChIKeyFXKHICCRNHDEQH-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.86
Rot. Bonds5

About 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole

11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole (PubChem CID 126500778) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
PubChem CID126500778
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)57-58-53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)54(53)61(57)42-21-15-20-41(36-42)60-52-29-14-12-25-46(52)50-35-34-49-45-24-11-13-28-51(45)59(55(49)56(50)60)40-18-5-2-6-19-40/h1-36H
InChIKeyFXKHICCRNHDEQH-UHFFFAOYSA-N
XLogP14.86
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine
CID 138661347

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole (CID 126500778) is 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc2)cc1.
What is the InChIKey of 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole?
The InChIKey is FXKHICCRNHDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)57-58-53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)54(53)61(57)42-21-15-20-41(36-42)60-52-29-14-12-25-46(52)50-35-34-49-45-24-11-13-28-51(45)59(55(49)56(50)60)40-18-5-2-6-19-40/h1-36H.
What are the key properties of 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole?
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 126500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).