17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene

C55H33N3 — CID 163990270

IUPAC17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5c4cnc4c5ccc5ccc(-c6ccc7ccccc7c6)nc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C55H33N3/c1-2-13-35(14-3-1)50-41-16-6-8-18-43(41)51(44-19-9-7-17-42(44)50)36-23-25-37(26-24-36)53-47-33-56-55-46(52(47)45-20-10-11-21-49(45)58-53)30-28-38-29-31-48(57-54(38)55)40-27-22-34-12-4-5-15-39(34)32-40/h1-33H
InChIKeyTZZPNCDEJGJBGW-UHFFFAOYSA-N
MW735.89 g/mol
LogP14.61
Rot. Bonds4

About 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene

17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene (PubChem CID 163990270) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene.

Molecular Properties

Compound Name17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
PubChem CID163990270
Molecular FormulaC55H33N3
Molecular Weight735.89 g/mol
Exact Mass735.27
IUPAC Name17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5c4cnc4c5ccc5ccc(-c6ccc7ccccc7c6)nc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C55H33N3/c1-2-13-35(14-3-1)50-41-16-6-8-18-43(41)51(44-19-9-7-17-42(44)50)36-23-25-37(26-24-36)53-47-33-56-55-46(52(47)45-20-10-11-21-49(45)58-53)30-28-38-29-31-48(57-54(38)55)40-27-22-34-12-4-5-15-39(34)32-40/h1-33H
InChIKeyTZZPNCDEJGJBGW-UHFFFAOYSA-N
XLogP14.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene with MolForge

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Related Compounds

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 165024798
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 164811038
6-[4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 146230985
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
N,N-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-11-amine
CID 171055196
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474

Frequently Asked Questions

What is the IUPAC name of 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene?
The IUPAC name of 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene (CID 163990270) is 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene.
What is the SMILES notation for 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene?
The canonical SMILES for 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5c4cnc4c5ccc5ccc(-c6ccc7ccccc7c6)nc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene?
The InChIKey is TZZPNCDEJGJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3/c1-2-13-35(14-3-1)50-41-16-6-8-18-43(41)51(44-19-9-7-17-42(44)50)36-23-25-37(26-24-36)53-47-33-56-55-46(52(47)45-20-10-11-21-49(45)58-53)30-28-38-29-31-48(57-54(38)55)40-27-22-34-12-4-5-15-39(34)32-40/h1-33H.
What are the key properties of 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene?
17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene has a molecular weight of 735.89 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene is sourced from PubChem (CID 163990270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).