7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene

C35H24 — CID 156676962

IUPAC7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene
SMILESc1ccc2c(C3CC3)c3ccc(-c4c5ccccc5cc5c4ccc4ccccc45)cc3cc2c1
InChIInChI=1S/C35H24/c1-4-10-28-22(7-1)15-18-32-33(28)21-25-9-3-6-12-30(25)35(32)26-16-17-31-27(20-26)19-24-8-2-5-11-29(24)34(31)23-13-14-23/h1-12,15-21,23H,13-14H2
InChIKeyPDQVUAQWIUOYDV-UHFFFAOYSA-N
MW444.58 g/mol
LogP10.00
Rot. Bonds2

About 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene

7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene (PubChem CID 156676962) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene.

Molecular Properties

Compound Name7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene
PubChem CID156676962
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene
SMILESc1ccc2c(C3CC3)c3ccc(-c4c5ccccc5cc5c4ccc4ccccc45)cc3cc2c1
InChIInChI=1S/C35H24/c1-4-10-28-22(7-1)15-18-32-33(28)21-25-9-3-6-12-30(25)35(32)26-16-17-31-27(20-26)19-24-8-2-5-11-29(24)34(31)23-13-14-23/h1-12,15-21,23H,13-14H2
InChIKeyPDQVUAQWIUOYDV-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
CID 59412706
9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59413180
9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
2-(4-benzo[a]anthracen-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167252711
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
16-benzo[a]anthracen-7-ylhexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167413015
7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 59412748
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053

Frequently Asked Questions

What is the IUPAC name of 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene?
The IUPAC name of 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene (CID 156676962) is 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene.
What is the SMILES notation for 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene?
The canonical SMILES for 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene is c1ccc2c(C3CC3)c3ccc(-c4c5ccccc5cc5c4ccc4ccccc45)cc3cc2c1.
What is the InChIKey of 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene?
The InChIKey is PDQVUAQWIUOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-4-10-28-22(7-1)15-18-32-33(28)21-25-9-3-6-12-30(25)35(32)26-16-17-31-27(20-26)19-24-8-2-5-11-29(24)34(31)23-13-14-23/h1-12,15-21,23H,13-14H2.
What are the key properties of 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene?
7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene has a molecular weight of 444.58 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene is sourced from PubChem (CID 156676962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).