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

C53H33N5 — CID 129123324

IUPAC12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9nc(-c9ccccc9)c8c76)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)38-25-23-34(24-26-38)35-27-29-39(30-28-35)57-48-22-12-9-18-41(48)43-32-31-42-40-17-7-10-20-45(40)54-51(50(42)52(43)57)37-15-5-2-6-16-37/h1-33H
InChIKeyOUBLDDCJLYJNSB-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.35
Rot. Bonds5

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

12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine (PubChem CID 129123324) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine.

Molecular Properties

Compound Name12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
PubChem CID129123324
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9nc(-c9ccccc9)c8c76)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)38-25-23-34(24-26-38)35-27-29-39(30-28-35)57-48-22-12-9-18-41(48)43-32-31-42-40-17-7-10-20-45(40)54-51(50(42)52(43)57)37-15-5-2-6-16-37/h1-33H
InChIKeyOUBLDDCJLYJNSB-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

3-phenyl-14-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123256
14-phenyl-3-[3-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123832
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 129122867
6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine
CID 157118523
6-phenyl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]quinoline;6-phenyl-11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinoline
CID 159724561
11-[4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;11-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;methane
CID 158015741

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The IUPAC name of 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine (CID 129123324) is 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine.
What is the SMILES notation for 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The canonical SMILES for 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine is c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9nc(-c9ccccc9)c8c76)cc5)cc4)n3n2)cc1.
What is the InChIKey of 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
The InChIKey is OUBLDDCJLYJNSB-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)38-25-23-34(24-26-38)35-27-29-39(30-28-35)57-48-22-12-9-18-41(48)43-32-31-42-40-17-7-10-20-45(40)54-51(50(42)52(43)57)37-15-5-2-6-16-37/h1-33H.
What are the key properties of 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine?
12-phenyl-11-[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 12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine is sourced from PubChem (CID 129123324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).