17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C39H24N2 — CID 142352552

IUPAC17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-n2c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C39H24N2/c1-2-11-28(12-3-1)41-36-23-21-27(35-22-20-26-19-18-25-10-4-5-13-29(25)38(26)40-35)24-34(36)37-32-16-8-6-14-30(32)31-15-7-9-17-33(31)39(37)41/h1-24H
InChIKeyJGXBJMDJSPBLOO-UHFFFAOYSA-N
MW520.64 g/mol
LogP10.46
Rot. Bonds2

About 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 142352552) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID142352552
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-n2c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C39H24N2/c1-2-11-28(12-3-1)41-36-23-21-27(35-22-20-26-19-18-25-10-4-5-13-29(25)38(26)40-35)24-34(36)37-32-16-8-6-14-30(32)31-15-7-9-17-33(31)39(37)41/h1-24H
InChIKeyJGXBJMDJSPBLOO-UHFFFAOYSA-N
XLogP10.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

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1-N,1-N,3-N,3-N-tetraphenyl-5-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)benzene-1,3-diamine
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9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
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12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
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2-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-2-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
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17-[3-(4-bromophenyl)phenyl]-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90175622

Frequently Asked Questions

What is the IUPAC name of 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 142352552) is 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-n2c3ccc(-c4ccc5ccc6ccccc6c5n4)cc3c3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is JGXBJMDJSPBLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2/c1-2-11-28(12-3-1)41-36-23-21-27(35-22-20-26-19-18-25-10-4-5-13-29(25)38(26)40-35)24-34(36)37-32-16-8-6-14-30(32)31-15-7-9-17-33(31)39(37)41/h1-24H.
What are the key properties of 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 520.64 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-benzo[h]quinolin-2-yl-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 142352552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).