9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene

C225H144O2S2 — CID 161193830

IUPAC9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c21.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H30O.C48H30S.C45H32.C42H26O.C42H26S/c2*1-2-13-31(14-3-1)35-26-27-43(37-18-5-4-17-36(35)37)48-41-22-8-6-20-39(41)47(40-21-7-9-23-42(40)48)34-16-12-15-32(29-34)33-25-28-46-44(30-33)38-19-10-11-24-45(38)49-46;1-45(2)41-24-10-9-17-35(41)40-23-12-22-34(44(40)45)31-15-11-16-32(28-31)42-36-18-5-7-20-38(36)43(39-21-8-6-19-37(39)42)33-26-25-29-13-3-4-14-30(29)27-33;2*1-2-12-28-25-31(24-23-27(28)11-1)41-36-18-5-3-16-34(36)40(35-17-4-6-19-37(35)41)30-14-9-13-29(26-30)32-20-10-21-38-33-15-7-8-22-39(33)43-42(32)38/h2*1-30H;3-28H,1-2H3;2*1-26H
InChIKeyUUBSQKZVVAHZCN-UHFFFAOYSA-N
MW2943.76 g/mol
LogP64.91
Rot. Bonds17

About 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene

9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene (PubChem CID 161193830) has the molecular formula C225H144O2S2 and a molecular weight of 2943.76 g/mol. Its IUPAC name is 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
PubChem CID161193830
Molecular FormulaC225H144O2S2
Molecular Weight2943.76 g/mol
Exact Mass2941.06
IUPAC Name9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c21.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H30O.C48H30S.C45H32.C42H26O.C42H26S/c2*1-2-13-31(14-3-1)35-26-27-43(37-18-5-4-17-36(35)37)48-41-22-8-6-20-39(41)47(40-21-7-9-23-42(40)48)34-16-12-15-32(29-34)33-25-28-46-44(30-33)38-19-10-11-24-45(38)49-46;1-45(2)41-24-10-9-17-35(41)40-23-12-22-34(44(40)45)31-15-11-16-32(28-31)42-36-18-5-7-20-38(36)43(39-21-8-6-19-37(39)42)33-26-25-29-13-3-4-14-30(29)27-33;2*1-2-12-28-25-31(24-23-27(28)11-1)41-36-18-5-3-16-34(36)40(35-17-4-6-19-37(35)41)30-14-9-13-29(26-30)32-20-10-21-38-33-15-7-8-22-39(33)43-42(32)38/h2*1-30H;3-28H,1-2H3;2*1-26H
InChIKeyUUBSQKZVVAHZCN-UHFFFAOYSA-N
XLogP64.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms229
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002943.76
LogP ≤ 564.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene?
The IUPAC name of 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene (CID 161193830) is 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene?
The canonical SMILES for 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene is CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)c21.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene?
The InChIKey is UUBSQKZVVAHZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O.C48H30S.C45H32.C42H26O.C42H26S/c2*1-2-13-31(14-3-1)35-26-27-43(37-18-5-4-17-36(35)37)48-41-22-8-6-20-39(41)47(40-21-7-9-23-42(40)48)34-16-12-15-32(29-34)33-25-28-46-44(30-33)38-19-10-11-24-45(38)49-46;1-45(2)41-24-10-9-17-35(41)40-23-12-22-34(44(40)45)31-15-11-16-32(28-31)42-36-18-5-7-20-38(36)43(39-21-8-6-19-37(39)42)33-26-25-29-13-3-4-14-30(29)27-33;2*1-2-12-28-25-31(24-23-27(28)11-1)41-36-18-5-3-16-34(36)40(35-17-4-6-19-37(35)41)30-14-9-13-29(26-30)32-20-10-21-38-33-15-7-8-22-39(33)43-42(32)38/h2*1-30H;3-28H,1-2H3;2*1-26H.
What are the key properties of 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene?
9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene has a molecular weight of 2943.76 g/mol, XLogP of 64.91, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 161193830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).