9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene

C44H34 — CID 58836092

IUPAC9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(C2=C(c3ccc(C)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3C2)cc1
InChIInChI=1S/C44H34/c1-28-12-18-31(19-13-28)41-27-35-26-34(24-25-36(35)42(41)32-20-14-29(2)15-21-32)44-39-10-6-4-8-37(39)43(33-22-16-30(3)17-23-33)38-9-5-7-11-40(38)44/h4-26H,27H2,1-3H3
InChIKeyKTWWRCNXGMMJJD-UHFFFAOYSA-N
MW562.76 g/mol
LogP11.77
Rot. Bonds4

About 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene

9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene (PubChem CID 58836092) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene
PubChem CID58836092
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(C2=C(c3ccc(C)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3C2)cc1
InChIInChI=1S/C44H34/c1-28-12-18-31(19-13-28)41-27-35-26-34(24-25-36(35)42(41)32-20-14-29(2)15-21-32)44-39-10-6-4-8-37(39)43(33-22-16-30(3)17-23-33)38-9-5-7-11-40(38)44/h4-26H,27H2,1-3H3
InChIKeyKTWWRCNXGMMJJD-UHFFFAOYSA-N
XLogP11.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2,3-diphenyl-1H-indene
CID 102161513
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene;9-[3,3-dimethyl-1,2-bis(4-methylphenyl)inden-5-yl]-10-naphthalen-2-ylanthracene;1-methyl-3-(4-methylphenyl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenylindole;N-[4-[4-[1-methyl-3-(4-methylphenyl)-2-phenylindol-6-yl]naphthalen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 158238560
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529

Frequently Asked Questions

What is the IUPAC name of 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene?
The IUPAC name of 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene (CID 58836092) is 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene.
What is the SMILES notation for 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene?
The canonical SMILES for 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene is Cc1ccc(C2=C(c3ccc(C)cc3)c3ccc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)cc3C2)cc1.
What is the InChIKey of 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene?
The InChIKey is KTWWRCNXGMMJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-28-12-18-31(19-13-28)41-27-35-26-34(24-25-36(35)42(41)32-20-14-29(2)15-21-32)44-39-10-6-4-8-37(39)43(33-22-16-30(3)17-23-33)38-9-5-7-11-40(38)44/h4-26H,27H2,1-3H3.
What are the key properties of 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene?
9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene has a molecular weight of 562.76 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1,2-bis(4-methylphenyl)-3H-inden-5-yl]-10-(4-methylphenyl)anthracene is sourced from PubChem (CID 58836092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).