2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene

C78H78 — CID 21043365

IUPAC2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3c(C)c(C)c(C)c(C)c3C)c3cc(-c4ccc(-c5ccc6c(-c7c(C)c(C)c(C)c(C)c7C)c7ccccc7c(-c7c(C)c(C)c(C)c(C)c7C)c6c5)cc4)ccc23)c(C)c1C
InChIInChI=1S/C78H78/c1-39-43(5)51(13)71(52(14)44(39)6)75-63-25-21-23-27-65(63)77(73-55(17)47(9)41(3)48(10)56(73)18)69-37-61(33-35-67(69)75)59-29-31-60(32-30-59)62-34-36-68-70(38-62)78(74-57(19)49(11)42(4)50(12)58(74)20)66-28-24-22-26-64(66)76(68)72-53(15)45(7)40(2)46(8)54(72)16/h21-38H,1-20H3
InChIKeyMTWRWRZQCNZYOA-UHFFFAOYSA-N
MW1015.48 g/mol
LogP22.47
Rot. Bonds6

About 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene

2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene (PubChem CID 21043365) has the molecular formula C78H78 and a molecular weight of 1015.48 g/mol. Its IUPAC name is 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene.

Molecular Properties

Compound Name2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene
PubChem CID21043365
Molecular FormulaC78H78
Molecular Weight1015.48 g/mol
Exact Mass1014.61
IUPAC Name2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3c(C)c(C)c(C)c(C)c3C)c3cc(-c4ccc(-c5ccc6c(-c7c(C)c(C)c(C)c(C)c7C)c7ccccc7c(-c7c(C)c(C)c(C)c(C)c7C)c6c5)cc4)ccc23)c(C)c1C
InChIInChI=1S/C78H78/c1-39-43(5)51(13)71(52(14)44(39)6)75-63-25-21-23-27-65(63)77(73-55(17)47(9)41(3)48(10)56(73)18)69-37-61(33-35-67(69)75)59-29-31-60(32-30-59)62-34-36-68-70(38-62)78(74-57(19)49(11)42(4)50(12)58(74)20)66-28-24-22-26-64(66)76(68)72-53(15)45(7)40(2)46(8)54(72)16/h21-38H,1-20H3
InChIKeyMTWRWRZQCNZYOA-UHFFFAOYSA-N
XLogP22.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.48
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)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-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
CID 21043379
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
5,12-bis(2,3,4,5,6-pentamethylphenyl)-19,26-diphenylheptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16(28),17,19,21,23,25-tetradecaene
CID 58479850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene?
The IUPAC name of 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene (CID 21043365) is 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene.
What is the SMILES notation for 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene?
The canonical SMILES for 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene is Cc1c(C)c(C)c(-c2c3ccccc3c(-c3c(C)c(C)c(C)c(C)c3C)c3cc(-c4ccc(-c5ccc6c(-c7c(C)c(C)c(C)c(C)c7C)c7ccccc7c(-c7c(C)c(C)c(C)c(C)c7C)c6c5)cc4)ccc23)c(C)c1C.
What is the InChIKey of 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene?
The InChIKey is MTWRWRZQCNZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H78/c1-39-43(5)51(13)71(52(14)44(39)6)75-63-25-21-23-27-65(63)77(73-55(17)47(9)41(3)48(10)56(73)18)69-37-61(33-35-67(69)75)59-29-31-60(32-30-59)62-34-36-68-70(38-62)78(74-57(19)49(11)42(4)50(12)58(74)20)66-28-24-22-26-64(66)76(68)72-53(15)45(7)40(2)46(8)54(72)16/h21-38H,1-20H3.
What are the key properties of 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene?
2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene has a molecular weight of 1015.48 g/mol, XLogP of 22.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene is sourced from PubChem (CID 21043365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).