15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C153H90N6O3 — CID 158539431

About 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 158539431) has the molecular formula C153H90N6O3 and a molecular weight of 2060.44 g/mol. Its IUPAC name is 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 158539431
• Molecular Formula: C153H90N6O3
• Molecular Weight: 2060.44 g/mol
• Exact Mass: 2058.71
• IUPAC Name: 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2.c1cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2.c1cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2
• InChI: InChI=1S/3C51H30N2O/c1-2-13-34-29-36(28-23-31(34)11-1)51-52-44-20-10-22-46-49(44)53(51)45-21-9-19-42(50(45)54-46)48-40-17-7-5-15-38(40)47(39-16-6-8-18-41(39)48)35-27-26-33-25-24-32-12-3-4-14-37(32)43(33)30-35;1-2-13-33-29-36(26-23-31(33)11-1)51-52-44-20-10-22-46-49(44)53(51)45-21-9-19-43(50(45)54-46)48-41-17-7-5-15-39(41)47(40-16-6-8-18-42(40)48)35-27-28-38-34(30-35)25-24-32-12-3-4-14-37(32)38;1-2-14-32-29-34(28-27-31(32)13-1)51-52-44-24-12-26-46-49(44)53(51)45-25-11-23-42(50(45)54-46)47-38-19-7-9-21-40(38)48(41-22-10-8-20-39(41)47)43-30-33-15-3-4-16-35(33)36-17-5-6-18-37(36)43/h3*1-30H
• InChIKey: HOILQVKWZOKJHA-UHFFFAOYSA-N
• XLogP: 41.69
• TPSA: 81.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2060.44
LogP ≤ 5	41.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 158539431) is 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2.c1cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2.c1cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c2c(c1)-n1c(-c3ccc4ccccc4c3)nc3cccc(c31)O2.

What is the InChIKey of 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is HOILQVKWZOKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H30N2O/c1-2-13-34-29-36(28-23-31(34)11-1)51-52-44-20-10-22-46-49(44)53(51)45-21-9-19-42(50(45)54-46)48-40-17-7-5-15-38(40)47(39-16-6-8-18-41(39)48)35-27-26-33-25-24-32-12-3-4-14-37(32)43(33)30-35;1-2-13-33-29-36(26-23-31(33)11-1)51-52-44-20-10-22-46-49(44)53(51)45-21-9-19-43(50(45)54-46)48-41-17-7-5-15-39(41)47(40-16-6-8-18-42(40)48)35-27-28-38-34(30-35)25-24-32-12-3-4-14-37(32)38;1-2-14-32-29-34(28-27-31(32)13-1)51-52-44-24-12-26-46-49(44)53(51)45-25-11-23-42(50(45)54-46)47-38-19-7-9-21-40(38)48(41-22-10-8-20-39(41)47)43-30-33-15-3-4-16-35(33)36-17-5-6-18-37(36)43/h3*1-30H.

What are the key properties of 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 2060.44 g/mol, XLogP of 41.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15-naphthalen-2-yl-6-(10-phenanthren-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 158539431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).