6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

C232H136O5 — CID 163446867

About 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 163446867) has the molecular formula C232H136O5 and a molecular weight of 3003.63 g/mol. Its IUPAC name is 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

• Compound Name: 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
• PubChem CID: 163446867
• Molecular Formula: C232H136O5
• Molecular Weight: 3003.63 g/mol
• Exact Mass: 3001.04
• IUPAC Name: 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
• SMILES: c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7oc8cccc5c8c67)cc4)c4ccccc34)ccc12
• InChI: InChI=1S/3C48H28O.2C44H26O/c1-2-14-35-29(10-1)22-23-31-27-34(24-25-36(31)35)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)32-12-7-11-30(26-32)42-28-33-13-8-20-43-47(33)48-41(42)19-9-21-44(48)49-43;1-2-11-35-29(9-1)21-24-32-27-34(25-26-36(32)35)46-39-14-5-3-12-37(39)45(38-13-4-6-15-40(38)46)31-22-19-30(20-23-31)42-28-33-10-7-17-43-47(33)48-41(42)16-8-18-44(48)49-43;1-2-16-33-30(12-1)27-42(35-18-4-3-17-34(33)35)47-38-21-7-5-19-36(38)45(37-20-6-8-22-39(37)47)31-14-9-13-29(26-31)41-28-32-15-10-24-43-46(32)48-40(41)23-11-25-44(48)49-43;1-2-16-31-27(11-1)12-8-21-32(31)43-35-19-5-3-17-33(35)41(34-18-4-6-20-36(34)43)29-14-7-13-28(25-29)38-26-30-15-9-23-39-42(30)44-37(38)22-10-24-40(44)45-39;1-2-11-28-24-32(23-22-27(28)10-1)42-35-17-5-3-15-33(35)41(34-16-4-6-18-36(34)42)30-13-7-12-29(25-30)38-26-31-14-8-20-39-43(31)44-37(38)19-9-21-40(44)45-39/h3*1-28H;2*1-26H
• InChIKey: BDFZMLOOIXSVIQ-UHFFFAOYSA-N
• XLogP: 66.65
• TPSA: 65.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3003.63
LogP ≤ 5	66.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?

The IUPAC name of 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (CID 163446867) is 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.

What is the SMILES notation for 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?

The canonical SMILES for 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cc3cccc4oc5cccc2c5c34)c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7oc8cccc5c8c67)cc4)c4ccccc34)ccc12.

What is the InChIKey of 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?

The InChIKey is BDFZMLOOIXSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28O.2C44H26O/c1-2-14-35-29(10-1)22-23-31-27-34(24-25-36(31)35)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)32-12-7-11-30(26-32)42-28-33-13-8-20-43-47(33)48-41(42)19-9-21-44(48)49-43;1-2-11-35-29(9-1)21-24-32-27-34(25-26-36(32)35)46-39-14-5-3-12-37(39)45(38-13-4-6-15-40(38)46)31-22-19-30(20-23-31)42-28-33-10-7-17-43-47(33)48-41(42)16-8-18-44(48)49-43;1-2-16-33-30(12-1)27-42(35-18-4-3-17-34(33)35)47-38-21-7-5-19-36(38)45(37-20-6-8-22-39(37)47)31-14-9-13-29(26-31)41-28-32-15-10-24-43-46(32)48-40(41)23-11-25-44(48)49-43;1-2-16-31-27(11-1)12-8-21-32(31)43-35-19-5-3-17-33(35)41(34-18-4-6-20-36(34)43)29-14-7-13-28(25-29)38-26-30-15-9-23-39-42(30)44-37(38)22-10-24-40(44)45-39;1-2-11-28-24-32(23-22-27(28)10-1)42-35-17-5-3-15-33(35)41(34-16-4-6-18-36(34)42)30-13-7-12-29(25-30)38-26-31-14-8-20-39-43(31)44-37(38)19-9-21-40(44)45-39/h3*1-28H;2*1-26H.

What are the key properties of 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?

6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 3003.63 g/mol, XLogP of 66.65, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;6-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 163446867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).