9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene

C120H134 — CID 59101775

IUPAC9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
SMILESCCCCCCCCCCc1ccc(-c2c3ccccc3c(-c3ccc(CCCCCCCCCC)cc3)c3cc(-c4c5ccc(-c6ccc(-c7ccc(C)cc7)cc6)cc5c(-c5ccc6c(-c7ccc(CCCCCCCCCC)cc7)c7ccccc7c(-c7ccc(CCCCCCCCCC)cc7)c6c5)c5ccc(C)cc45)ccc23)cc1
InChIInChI=1S/C120H134/c1-7-11-15-19-23-27-31-35-43-89-54-64-96(65-55-89)115-103-47-39-41-49-105(103)117(98-68-58-91(59-69-98)45-37-33-29-25-21-17-13-9-3)113-85-101(77-81-108(113)115)119-110-80-76-100(95-74-72-94(73-75-95)93-62-51-87(5)52-63-93)84-112(110)120(107-79-53-88(6)83-111(107)119)102-78-82-109-114(86-102)118(99-70-60-92(61-71-99)46-38-34-30-26-22-18-14-10-4)106-50-42-40-48-104(106)116(109)97-66-56-90(57-67-97)44-36-32-28-24-20-16-12-8-2/h39-42,47-86H,7-38,43-46H2,1-6H3
InChIKeyJAIWDIOUNGBQQJ-UHFFFAOYSA-N
MW1576.39 g/mol
LogP37.29
Rot. Bonds44

About 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene

9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene (PubChem CID 59101775) has the molecular formula C120H134 and a molecular weight of 1576.39 g/mol. Its IUPAC name is 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
PubChem CID59101775
Molecular FormulaC120H134
Molecular Weight1576.39 g/mol
Exact Mass1575.05
IUPAC Name9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
SMILESCCCCCCCCCCc1ccc(-c2c3ccccc3c(-c3ccc(CCCCCCCCCC)cc3)c3cc(-c4c5ccc(-c6ccc(-c7ccc(C)cc7)cc6)cc5c(-c5ccc6c(-c7ccc(CCCCCCCCCC)cc7)c7ccccc7c(-c7ccc(CCCCCCCCCC)cc7)c6c5)c5ccc(C)cc45)ccc23)cc1
InChIInChI=1S/C120H134/c1-7-11-15-19-23-27-31-35-43-89-54-64-96(65-55-89)115-103-47-39-41-49-105(103)117(98-68-58-91(59-69-98)45-37-33-29-25-21-17-13-9-3)113-85-101(77-81-108(113)115)119-110-80-76-100(95-74-72-94(73-75-95)93-62-51-87(5)52-63-93)84-112(110)120(107-79-53-88(6)83-111(107)119)102-78-82-109-114(86-102)118(99-70-60-92(61-71-99)46-38-34-30-26-22-18-14-10-4)106-50-42-40-48-104(106)116(109)97-66-56-90(57-67-97)44-36-32-28-24-20-16-12-8-2/h39-42,47-86H,7-38,43-46H2,1-6H3
InChIKeyJAIWDIOUNGBQQJ-UHFFFAOYSA-N
XLogP37.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001576.39
LogP ≤ 537.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
CID 153328373
5,11-bis(4-pentylphenyl)tetracene
CID 132571362
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-methyl-4-octylbenzene
CID 11052746
9,10-bis(9-phenylphenanthren-3-yl)anthracene;2,10-diphenyl-9-(9-phenylphenanthren-3-yl)anthracene;3-[10-(1,1,2,2,3,3-hexamethylinden-5-yl)anthracen-9-yl]-9-phenylphenanthrene;9-(4-hexylphenyl)-3-(10-phenylanthracen-9-yl)phenanthrene;methane;9-phenyl-3-[10-[4-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenanthrene
CID 159717513
1-pentadecyl-4-phenylbenzene
CID 57166115
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene?
The IUPAC name of 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene (CID 59101775) is 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene is CCCCCCCCCCc1ccc(-c2c3ccccc3c(-c3ccc(CCCCCCCCCC)cc3)c3cc(-c4c5ccc(-c6ccc(-c7ccc(C)cc7)cc6)cc5c(-c5ccc6c(-c7ccc(CCCCCCCCCC)cc7)c7ccccc7c(-c7ccc(CCCCCCCCCC)cc7)c6c5)c5ccc(C)cc45)ccc23)cc1.
What is the InChIKey of 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene?
The InChIKey is JAIWDIOUNGBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H134/c1-7-11-15-19-23-27-31-35-43-89-54-64-96(65-55-89)115-103-47-39-41-49-105(103)117(98-68-58-91(59-69-98)45-37-33-29-25-21-17-13-9-3)113-85-101(77-81-108(113)115)119-110-80-76-100(95-74-72-94(73-75-95)93-62-51-87(5)52-63-93)84-112(110)120(107-79-53-88(6)83-111(107)119)102-78-82-109-114(86-102)118(99-70-60-92(61-71-99)46-38-34-30-26-22-18-14-10-4)106-50-42-40-48-104(106)116(109)97-66-56-90(57-67-97)44-36-32-28-24-20-16-12-8-2/h39-42,47-86H,7-38,43-46H2,1-6H3.
What are the key properties of 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene?
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene has a molecular weight of 1576.39 g/mol, XLogP of 37.29, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene is sourced from PubChem (CID 59101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).