2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene

C272H166O3S3 — CID 160693939

IUPAC2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/2C46H28O.3C46H28S.C42H26O/c1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)20-21-31-24-27-33(28-42(31)34)45-39-15-5-3-13-37(39)44(38-14-4-6-16-40(38)45)32-25-22-30(23-26-32)35-17-9-18-41-36-12-7-8-19-43(36)47-46(35)41;1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)22-25-32-28-33(26-27-35(32)34)45-40-15-5-3-13-38(40)44(39-14-4-6-16-41(39)45)31-23-20-30(21-24-31)36-17-9-18-42-37-12-7-8-19-43(37)47-46(36)42;1-2-10-35-30(9-1)19-22-33-27-34(23-25-36(33)35)46-40-14-5-3-12-38(40)45(39-13-4-6-15-41(39)46)31-20-17-29(18-21-31)32-24-26-44-42(28-32)37-11-7-8-16-43(37)47-44;1-2-10-30-25-32(22-19-27(30)9-1)42-36-14-5-3-12-34(36)41(35-13-4-6-15-37(35)42)29-20-17-28(18-21-29)31-23-24-40-38(26-31)33-11-7-8-16-39(33)43-40/h5*1-28H;1-26H
InChIKeyRPTNYTIQRYVCPK-UHFFFAOYSA-N
MW3578.52 g/mol
LogP79.45
Rot. Bonds18

About 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene (PubChem CID 160693939) has the molecular formula C272H166O3S3 and a molecular weight of 3578.52 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene
PubChem CID160693939
Molecular FormulaC272H166O3S3
Molecular Weight3578.52 g/mol
Exact Mass3575.20
IUPAC Name2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/2C46H28O.3C46H28S.C42H26O/c1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)20-21-31-24-27-33(28-42(31)34)45-39-15-5-3-13-37(39)44(38-14-4-6-16-40(38)45)32-25-22-30(23-26-32)35-17-9-18-41-36-12-7-8-19-43(36)47-46(35)41;1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)22-25-32-28-33(26-27-35(32)34)45-40-15-5-3-13-38(40)44(39-14-4-6-16-41(39)45)31-23-20-30(21-24-31)36-17-9-18-42-37-12-7-8-19-43(37)47-46(36)42;1-2-10-35-30(9-1)19-22-33-27-34(23-25-36(33)35)46-40-14-5-3-12-38(40)45(39-13-4-6-15-41(39)46)31-20-17-29(18-21-31)32-24-26-44-42(28-32)37-11-7-8-16-43(37)47-44;1-2-10-30-25-32(22-19-27(30)9-1)42-36-14-5-3-12-34(36)41(35-13-4-6-15-37(35)42)29-20-17-28(18-21-29)31-23-24-40-38(26-31)33-11-7-8-16-39(33)43-40/h5*1-28H;1-26H
InChIKeyRPTNYTIQRYVCPK-UHFFFAOYSA-N
XLogP79.45
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms278
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003578.52
LogP ≤ 579.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene?
The IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene (CID 160693939) is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene?
The canonical SMILES for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene?
The InChIKey is RPTNYTIQRYVCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28O.3C46H28S.C42H26O/c1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)20-21-31-24-27-33(28-42(31)34)45-39-15-5-3-13-37(39)44(38-14-4-6-16-40(38)45)32-25-22-30(23-26-32)35-17-9-18-41-36-12-7-8-19-43(36)47-46(35)41;1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-11-34-29(10-1)22-25-32-28-33(26-27-35(32)34)45-40-15-5-3-13-38(40)44(39-14-4-6-16-41(39)45)31-23-20-30(21-24-31)36-17-9-18-42-37-12-7-8-19-43(37)47-46(36)42;1-2-10-35-30(9-1)19-22-33-27-34(23-25-36(33)35)46-40-14-5-3-12-38(40)45(39-13-4-6-15-41(39)46)31-20-17-29(18-21-31)32-24-26-44-42(28-32)37-11-7-8-16-43(37)47-44;1-2-10-30-25-32(22-19-27(30)9-1)42-36-14-5-3-12-34(36)41(35-13-4-6-15-37(35)42)29-20-17-28(18-21-29)31-23-24-40-38(26-31)33-11-7-8-16-39(33)43-40/h5*1-28H;1-26H.
What are the key properties of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene?
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene has a molecular weight of 3578.52 g/mol, XLogP of 79.45, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 160693939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).