9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene

C41H30 — CID 87142370

IUPAC9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene
SMILESC1=C(CC2CC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C41H30/c1-5-13-32-28(9-1)24-29-10-2-6-14-33(29)40(32)36-19-20-37(39-23-27(22-38(36)39)21-26-17-18-26)41-34-15-7-3-11-30(34)25-31-12-4-8-16-35(31)41/h1-16,19-20,22,24-26H,17-18,21,23H2
InChIKeyQZLIUNQWGHSGKD-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.37
Rot. Bonds4

About 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene

9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene (PubChem CID 87142370) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene.

Molecular Properties

Compound Name9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene
PubChem CID87142370
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene
SMILESC1=C(CC2CC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C41H30/c1-5-13-32-28(9-1)24-29-10-2-6-14-33(29)40(32)36-19-20-37(39-23-27(22-38(36)39)21-26-17-18-26)41-34-15-7-3-11-30(34)25-31-12-4-8-16-35(31)41/h1-16,19-20,22,24-26H,17-18,21,23H2
InChIKeyQZLIUNQWGHSGKD-UHFFFAOYSA-N
XLogP11.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.37
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

9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
CID 87142144
9-(cycloheptylmethyl)anthracene
CID 173272889
9-(cyclohexylmethyl)anthracene
CID 173272896
9-(7-anthracen-9-yl-2-tert-butyl-1-methyl-3H-inden-4-yl)anthracene
CID 87142043
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
3-bromopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159448071
1-(cyclononylmethyl)anthracene
CID 173272600
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
CID 159876720
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067

Frequently Asked Questions

What is the IUPAC name of 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene?
The IUPAC name of 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene (CID 87142370) is 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene.
What is the SMILES notation for 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene?
The canonical SMILES for 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene is C1=C(CC2CC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21.
What is the InChIKey of 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene?
The InChIKey is QZLIUNQWGHSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-5-13-32-28(9-1)24-29-10-2-6-14-33(29)40(32)36-19-20-37(39-23-27(22-38(36)39)21-26-17-18-26)41-34-15-7-3-11-30(34)25-31-12-4-8-16-35(31)41/h1-16,19-20,22,24-26H,17-18,21,23H2.
What are the key properties of 9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene?
9-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene has a molecular weight of 522.69 g/mol, XLogP of 11.37, 4 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-(cyclopropylmethyl)-1H-inden-4-yl]anthracene is sourced from PubChem (CID 87142370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).