9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene

C211H144S2 — CID 164995023

IUPAC9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/2C45H32.C42H26S.C41H30.C38H24S/c1-45(2)41-21-10-9-15-35(41)40-28-32(26-27-42(40)45)44-38-18-7-5-16-36(38)43(37-17-6-8-19-39(37)44)31-24-22-30(23-25-31)34-20-11-13-29-12-3-4-14-33(29)34;1-45(2)41-18-10-9-13-35(41)40-28-34(25-26-42(40)45)44-38-16-7-5-14-36(38)43(37-15-6-8-17-39(37)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33;1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40;1-41(2)37-19-11-10-14-31(37)36-26-30(24-25-38(36)41)40-34-17-8-6-15-32(34)39(33-16-7-9-18-35(33)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-30-13-4-6-15-32(30)38(33-16-7-5-14-31(33)37)28-22-23-36-34(24-28)29-12-8-9-17-35(29)39-36/h2*3-28H,1-2H3;1-26H;3-26H,1-2H3;1-24H
InChIKeyHKVFUSUOTIUPSG-UHFFFAOYSA-N
MW2743.61 g/mol
LogP60.08
Rot. Bonds15

About 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene

9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene (PubChem CID 164995023) has the molecular formula C211H144S2 and a molecular weight of 2743.61 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
PubChem CID164995023
Molecular FormulaC211H144S2
Molecular Weight2743.61 g/mol
Exact Mass2741.07
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/2C45H32.C42H26S.C41H30.C38H24S/c1-45(2)41-21-10-9-15-35(41)40-28-32(26-27-42(40)45)44-38-18-7-5-16-36(38)43(37-17-6-8-19-39(37)44)31-24-22-30(23-25-31)34-20-11-13-29-12-3-4-14-33(29)34;1-45(2)41-18-10-9-13-35(41)40-28-34(25-26-42(40)45)44-38-16-7-5-14-36(38)43(37-15-6-8-17-39(37)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33;1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40;1-41(2)37-19-11-10-14-31(37)36-26-30(24-25-38(36)41)40-34-17-8-6-15-32(34)39(33-16-7-9-18-35(33)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-30-13-4-6-15-32(30)38(33-16-7-5-14-31(33)37)28-22-23-36-34(24-28)29-12-8-9-17-35(29)39-36/h2*3-28H,1-2H3;1-26H;3-26H,1-2H3;1-24H
InChIKeyHKVFUSUOTIUPSG-UHFFFAOYSA-N
XLogP60.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms213
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002743.61
LogP ≤ 560.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene (CID 164995023) is 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The InChIKey is HKVFUSUOTIUPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H32.C42H26S.C41H30.C38H24S/c1-45(2)41-21-10-9-15-35(41)40-28-32(26-27-42(40)45)44-38-18-7-5-16-36(38)43(37-17-6-8-19-39(37)44)31-24-22-30(23-25-31)34-20-11-13-29-12-3-4-14-33(29)34;1-45(2)41-18-10-9-13-35(41)40-28-34(25-26-42(40)45)44-38-16-7-5-14-36(38)43(37-15-6-8-17-39(37)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33;1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40;1-41(2)37-19-11-10-14-31(37)36-26-30(24-25-38(36)41)40-34-17-8-6-15-32(34)39(33-16-7-9-18-35(33)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-30-13-4-6-15-32(30)38(33-16-7-5-14-31(33)37)28-22-23-36-34(24-28)29-12-8-9-17-35(29)39-36/h2*3-28H,1-2H3;1-26H;3-26H,1-2H3;1-24H.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene has a molecular weight of 2743.61 g/mol, XLogP of 60.08, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 164995023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).