17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C50H29NO — CID 171575716

IUPAC17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-n2c3cc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc4c5c76)ccc3c3c4c(ccc32)oc2ccccc24)cc1
InChIInChI=1S/C50H29NO/c1-2-10-36(11-3-1)51-43-26-27-46-50(42-12-6-7-13-45(42)52-46)49(43)41-25-20-35(29-44(41)51)38-22-17-32-18-23-39-37(21-16-31-19-24-40(38)48(32)47(31)39)34-15-14-30-8-4-5-9-33(30)28-34/h1-29H
InChIKeyTXTLZUXWUZLNRE-UHFFFAOYSA-N
MW659.79 g/mol
LogP14.07
Rot. Bonds3

About 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 171575716) has the molecular formula C50H29NO and a molecular weight of 659.79 g/mol. Its IUPAC name is 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID171575716
Molecular FormulaC50H29NO
Molecular Weight659.79 g/mol
Exact Mass659.22
IUPAC Name17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-n2c3cc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc4c5c76)ccc3c3c4c(ccc32)oc2ccccc24)cc1
InChIInChI=1S/C50H29NO/c1-2-10-36(11-3-1)51-43-26-27-46-50(42-12-6-7-13-45(42)52-46)49(43)41-25-20-35(29-44(41)51)38-22-17-32-18-23-39-37(21-16-31-19-24-40(38)48(32)47(31)39)34-15-14-30-8-4-5-9-33(30)28-34/h1-29H
InChIKeyTXTLZUXWUZLNRE-UHFFFAOYSA-N
XLogP14.07
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
CID 167624935
2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 172512232
10-phenyl-2-(6-phenylpyren-1-yl)-[1]benzofuro[3,2-b]indole
CID 171466925
2-[2-[10-(9-naphthalen-2-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 155454157
5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223386
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
2-[8-(5-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 162066605
7-phenyl-9-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223509
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 161157059

Frequently Asked Questions

What is the IUPAC name of 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 171575716) is 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-n2c3cc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc4c5c76)ccc3c3c4c(ccc32)oc2ccccc24)cc1.
What is the InChIKey of 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is TXTLZUXWUZLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO/c1-2-10-36(11-3-1)51-43-26-27-46-50(42-12-6-7-13-45(42)52-46)49(43)41-25-20-35(29-44(41)51)38-22-17-32-18-23-39-37(21-16-31-19-24-40(38)48(32)47(31)39)34-15-14-30-8-4-5-9-33(30)28-34/h1-29H.
What are the key properties of 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 659.79 g/mol, XLogP of 14.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 171575716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).