9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene

C42H34 — CID 87142043

IUPAC9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene
SMILESCC1=C(C(C)(C)C)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C42H34/c1-26-38(42(2,3)4)25-37-35(40-31-17-9-5-13-27(31)23-28-14-6-10-18-32(28)40)21-22-36(39(26)37)41-33-19-11-7-15-29(33)24-30-16-8-12-20-34(30)41/h5-24H,25H2,1-4H3
InChIKeyJTMCJWQGWIGZAR-UHFFFAOYSA-N
MW538.73 g/mol
LogP12.01
Rot. Bonds2

About 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene

9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene (PubChem CID 87142043) has the molecular formula C42H34 and a molecular weight of 538.73 g/mol. Its IUPAC name is 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene.

Molecular Properties

Compound Name9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene
PubChem CID87142043
Molecular FormulaC42H34
Molecular Weight538.73 g/mol
Exact Mass538.27
IUPAC Name9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene
SMILESCC1=C(C(C)(C)C)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C42H34/c1-26-38(42(2,3)4)25-37-35(40-31-17-9-5-13-27(31)23-28-14-6-10-18-32(28)40)21-22-36(39(26)37)41-33-19-11-7-15-29(33)24-30-16-8-12-20-34(30)41/h5-24H,25H2,1-4H3
InChIKeyJTMCJWQGWIGZAR-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-anthracen-9-yl-7-methyl-2,1,3-benzothiadiazole
CID 148532013
9-anthracen-9-ylanthracene;toluene
CID 86148014
1-anthracen-9-yl-6-tert-butylpyrene
CID 140650332
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
CID 131973884
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
tetrakis(2,2-dimethylpropane);tris(9,10-diphenylanthracene);ethane;naphthalene;9-phenylanthracene;toluene
CID 160549128
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
CID 122211768
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460
CID 87142042
CID 87142042
2-anthracen-9-ylpropan-2-amine
CID 173326839
9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene
CID 87142370

Frequently Asked Questions

What is the IUPAC name of 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene?
The IUPAC name of 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene (CID 87142043) is 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene.
What is the SMILES notation for 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene?
The canonical SMILES for 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene is CC1=C(C(C)(C)C)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21.
What is the InChIKey of 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene?
The InChIKey is JTMCJWQGWIGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34/c1-26-38(42(2,3)4)25-37-35(40-31-17-9-5-13-27(31)23-28-14-6-10-18-32(28)40)21-22-36(39(26)37)41-33-19-11-7-15-29(33)24-30-16-8-12-20-34(30)41/h5-24H,25H2,1-4H3.
What are the key properties of 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene?
9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene has a molecular weight of 538.73 g/mol, XLogP of 12.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene is sourced from PubChem (CID 87142043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).