6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole

C54H39N — CID 58836128

IUPAC6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole
SMILESCc1ccc(-c2c(-c3ccccc3)n(C)c3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5-c5ccccc5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C54H39N/c1-36-26-28-39(29-27-36)52-48-33-31-42(35-50(48)55(2)54(52)40-20-10-5-11-21-40)51-43-22-12-14-24-45(43)53(46-25-15-13-23-44(46)51)47-32-30-41(37-16-6-3-7-17-37)34-49(47)38-18-8-4-9-19-38/h3-35H,1-2H3
InChIKeyLQTYNXUBWBXXGT-UHFFFAOYSA-N
MW701.91 g/mol
LogP14.80
Rot. Bonds6

About 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole

6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole (PubChem CID 58836128) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole.

Molecular Properties

Compound Name6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole
PubChem CID58836128
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC Name6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole
SMILESCc1ccc(-c2c(-c3ccccc3)n(C)c3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5-c5ccccc5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C54H39N/c1-36-26-28-39(29-27-36)52-48-33-31-42(35-50(48)55(2)54(52)40-20-10-5-11-21-40)51-43-22-12-14-24-45(43)53(46-25-15-13-23-44(46)51)47-32-30-41(37-16-6-3-7-17-37)34-49(47)38-18-8-4-9-19-38/h3-35H,1-2H3
InChIKeyLQTYNXUBWBXXGT-UHFFFAOYSA-N
XLogP14.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[10-[1-methyl-2,3-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]indol-6-yl]anthracen-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 58836045
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
1-methyl-2,3-diphenylindole
CID 11426096
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
9-(3,5-diphenylphenyl)-2-methyl-10-naphthalen-2-ylanthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-methyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 161230883
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450

Frequently Asked Questions

What is the IUPAC name of 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole?
The IUPAC name of 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole (CID 58836128) is 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole.
What is the SMILES notation for 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole?
The canonical SMILES for 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole is Cc1ccc(-c2c(-c3ccccc3)n(C)c3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5-c5ccccc5)c5ccccc45)ccc23)cc1.
What is the InChIKey of 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole?
The InChIKey is LQTYNXUBWBXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-36-26-28-39(29-27-36)52-48-33-31-42(35-50(48)55(2)54(52)40-20-10-5-11-21-40)51-43-22-12-14-24-45(43)53(46-25-15-13-23-44(46)51)47-32-30-41(37-16-6-3-7-17-37)34-49(47)38-18-8-4-9-19-38/h3-35H,1-2H3.
What are the key properties of 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole?
6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole has a molecular weight of 701.91 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole is sourced from PubChem (CID 58836128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).