3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole

C83H56N4 — CID 152842671

IUPAC3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
SMILESc1ccc(-c2nc(-c3ccc(-c4c5c6ccccc6c6ccccc6c5c(-c5ccccc5)n4-c4ccccc4)cc3)n(-c3ccccc3)c2-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C83H56N4/c1-9-29-57(30-10-1)73-74(58-31-11-2-12-32-58)79(85(66-39-19-6-20-40-66)78(73)60-35-15-4-16-36-60)62-49-51-64(52-50-62)82-77(59-33-13-3-14-34-59)84-83(87(82)68-43-23-8-24-44-68)65-55-53-63(54-56-65)81-76-72-48-28-26-46-70(72)69-45-25-27-47-71(69)75(76)80(61-37-17-5-18-38-61)86(81)67-41-21-7-22-42-67/h1-56H
InChIKeySZHYNERJYBAFSS-UHFFFAOYSA-N
MW1109.39 g/mol
LogP21.92
Rot. Bonds12

About 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole

3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole (PubChem CID 152842671) has the molecular formula C83H56N4 and a molecular weight of 1109.39 g/mol. Its IUPAC name is 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole.

Molecular Properties

Compound Name3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
PubChem CID152842671
Molecular FormulaC83H56N4
Molecular Weight1109.39 g/mol
Exact Mass1108.45
IUPAC Name3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
SMILESc1ccc(-c2nc(-c3ccc(-c4c5c6ccccc6c6ccccc6c5c(-c5ccccc5)n4-c4ccccc4)cc3)n(-c3ccccc3)c2-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C83H56N4/c1-9-29-57(30-10-1)73-74(58-31-11-2-12-32-58)79(85(66-39-19-6-20-40-66)78(73)60-35-15-4-16-36-60)62-49-51-64(52-50-62)82-77(59-33-13-3-14-34-59)84-83(87(82)68-43-23-8-24-44-68)65-55-53-63(54-56-65)81-76-72-48-28-26-46-70(72)69-45-25-27-47-71(69)75(76)80(61-37-17-5-18-38-61)86(81)67-41-21-7-22-42-67/h1-56H
InChIKeySZHYNERJYBAFSS-UHFFFAOYSA-N
XLogP21.92
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.39
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole with MolForge

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Related Compounds

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1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
CID 58827953
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
3,5-diphenyl-4-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,2,4-triazole
CID 58489447
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
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958787
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(1,4,5-triphenylimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole
CID 157404185

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole?
The IUPAC name of 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole (CID 152842671) is 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole.
What is the SMILES notation for 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole?
The canonical SMILES for 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole is c1ccc(-c2nc(-c3ccc(-c4c5c6ccccc6c6ccccc6c5c(-c5ccccc5)n4-c4ccccc4)cc3)n(-c3ccccc3)c2-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole?
The InChIKey is SZHYNERJYBAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N4/c1-9-29-57(30-10-1)73-74(58-31-11-2-12-32-58)79(85(66-39-19-6-20-40-66)78(73)60-35-15-4-16-36-60)62-49-51-64(52-50-62)82-77(59-33-13-3-14-34-59)84-83(87(82)68-43-23-8-24-44-68)65-55-53-63(54-56-65)81-76-72-48-28-26-46-70(72)69-45-25-27-47-71(69)75(76)80(61-37-17-5-18-38-61)86(81)67-41-21-7-22-42-67/h1-56H.
What are the key properties of 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole?
3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole has a molecular weight of 1109.39 g/mol, XLogP of 21.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole is sourced from PubChem (CID 152842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).