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

C53H33N5 — CID 129123832

IUPAC14-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
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c(-c9ccccc9)nc9ccccc9c8c76)c5)cc4)n3n2)cc1
InChIInChI=1S/C53H33N5/c1-3-14-35(15-4-1)47-33-49-42-21-7-10-23-45(42)55-53(58(49)56-47)37-28-26-34(27-29-37)38-18-13-19-39(32-38)57-48-25-12-9-20-40(48)41-30-31-44-50(52(41)57)43-22-8-11-24-46(43)54-51(44)36-16-5-2-6-17-36/h1-33H
InChIKeyIMCZXGXDOLHRHA-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.35
Rot. Bonds5

About 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

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 (PubChem CID 129123832) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID129123832
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name14-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
SMILESc1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c(-c9ccccc9)nc9ccccc9c8c76)c5)cc4)n3n2)cc1
InChIInChI=1S/C53H33N5/c1-3-14-35(15-4-1)47-33-49-42-21-7-10-23-45(42)55-53(58(49)56-47)37-28-26-34(27-29-37)38-18-13-19-39(32-38)57-48-25-12-9-20-40(48)41-30-31-44-50(52(41)57)43-22-8-11-24-46(43)54-51(44)36-16-5-2-6-17-36/h1-33H
InChIKeyIMCZXGXDOLHRHA-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
12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
CID 129123324
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
3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14-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 129124079
3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-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 129123689
6-[4-[3-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665826
3-phenyl-14-[3-(2-phenylbenzimidazol-1-yl)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 129123588
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
3,14-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164724143
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723983
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-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 129123341
3-(3-diphenylphosphorylphenyl)-14-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 129123835

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3c4ccccc4nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c(-c9ccccc9)nc9ccccc9c8c76)c5)cc4)n3n2)cc1.
What is the InChIKey of 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?
The InChIKey is IMCZXGXDOLHRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-14-35(15-4-1)47-33-49-42-21-7-10-23-45(42)55-53(58(49)56-47)37-28-26-34(27-29-37)38-18-13-19-39(32-38)57-48-25-12-9-20-40(48)41-30-31-44-50(52(41)57)43-22-8-11-24-46(43)54-51(44)36-16-5-2-6-17-36/h1-33H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 129123832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).