11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine

C53H33N5 — CID 129122857

IUPAC11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c67)cc5)cc4)n3n2)cc1
InChIInChI=1S/C53H33N5/c1-3-13-36(14-4-1)47-33-49-44-19-8-11-21-46(44)55-53(58(49)56-47)38-29-25-35(26-30-38)34-23-27-37(28-24-34)51-50-42(40-17-7-10-20-45(40)54-51)31-32-43-41-18-9-12-22-48(41)57(52(43)50)39-15-5-2-6-16-39/h1-33H
InChIKeySHUGQZKQFIGMDI-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.35
Rot. Bonds5

About 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine

11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine (PubChem CID 129122857) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine.

Molecular Properties

Compound Name11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
PubChem CID129122857
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c67)cc5)cc4)n3n2)cc1
InChIInChI=1S/C53H33N5/c1-3-13-36(14-4-1)47-33-49-44-19-8-11-21-46(44)55-53(58(49)56-47)38-29-25-35(26-30-38)34-23-27-37(28-24-34)51-50-42(40-17-7-10-20-45(40)54-51)31-32-43-41-18-9-12-22-48(41)57(52(43)50)39-15-5-2-6-16-39/h1-33H
InChIKeySHUGQZKQFIGMDI-UHFFFAOYSA-N
XLogP13.35
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 17863168
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CID 17863186
5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
CID 765724
5-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-methyl[1,2,4]triazolo[4,3-c]quinazoline
CID 15990148
N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 127041309
2,2'-Methylenebis(3-methyl-5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidinium)
CID 563508
US9216986, 2-[2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-ethyl]-quinoline
CID 71617115
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CID 89649732
9-(3-(9H-Carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 58943284
5-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 16010618
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CID 16010848
3-Methyl-1-phenyl-6,7,8,9-tetrahydro-1H-1,2,10,11-tetraaza-cyclopenta[b]anthracen-5-ylamine
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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The IUPAC name of 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine (CID 129122857) is 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine.
What is the SMILES notation for 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The canonical SMILES for 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine is c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c67)cc5)cc4)n3n2)cc1.
What is the InChIKey of 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The InChIKey is SHUGQZKQFIGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-13-36(14-4-1)47-33-49-44-19-8-11-21-46(44)55-53(58(49)56-47)38-29-25-35(26-30-38)34-23-27-37(28-24-34)51-50-42(40-17-7-10-20-45(40)54-51)31-32-43-41-18-9-12-22-48(41)57(52(43)50)39-15-5-2-6-16-39/h1-33H.
What are the key properties of 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine has a molecular weight of 739.88 g/mol, XLogP of 13.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine is sourced from PubChem (CID 129122857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).