4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene

C39H26 — CID 123622975

IUPAC4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
SMILESCc1c2ccccc2c(-c2cccc3c2ccc2c(-c4ccccc4)c4ccccc4cc23)c2ccccc12
InChIInChI=1S/C39H26/c1-25-28-15-7-9-18-33(28)39(34-19-10-8-16-29(25)34)35-21-11-20-31-32(35)22-23-36-37(31)24-27-14-5-6-17-30(27)38(36)26-12-3-2-4-13-26/h2-24H,1H3
InChIKeyNIOOBVFOCSKZQQ-UHFFFAOYSA-N
MW494.64 g/mol
LogP11.10
Rot. Bonds2

About 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene

4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene (PubChem CID 123622975) has the molecular formula C39H26 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene.

Molecular Properties

Compound Name4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
PubChem CID123622975
Molecular FormulaC39H26
Molecular Weight494.64 g/mol
Exact Mass494.20
IUPAC Name4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
SMILESCc1c2ccccc2c(-c2cccc3c2ccc2c(-c4ccccc4)c4ccccc4cc23)c2ccccc12
InChIInChI=1S/C39H26/c1-25-28-15-7-9-18-33(28)39(34-19-10-8-16-29(25)34)35-21-11-20-31-32(35)22-23-36-37(31)24-27-14-5-6-17-30(27)38(36)26-12-3-2-4-13-26/h2-24H,1H3
InChIKeyNIOOBVFOCSKZQQ-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 511.10
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

4-(3-tert-butyl-10-phenylanthracen-9-yl)-7-methylbenzo[a]anthracene
CID 123739024
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
dimethyl-[2-[4-(10-phenylanthracen-9-yl)benzo[a]anthracen-7-yl]ethyl]sulfanium
CID 144945899
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
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
2,9-dimethyl-10-phenylanthracene
CID 58435289
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440

Frequently Asked Questions

What is the IUPAC name of 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene?
The IUPAC name of 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene (CID 123622975) is 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene.
What is the SMILES notation for 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene?
The canonical SMILES for 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene is Cc1c2ccccc2c(-c2cccc3c2ccc2c(-c4ccccc4)c4ccccc4cc23)c2ccccc12.
What is the InChIKey of 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene?
The InChIKey is NIOOBVFOCSKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26/c1-25-28-15-7-9-18-33(28)39(34-19-10-8-16-29(25)34)35-21-11-20-31-32(35)22-23-36-37(31)24-27-14-5-6-17-30(27)38(36)26-12-3-2-4-13-26/h2-24H,1H3.
What are the key properties of 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene?
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene has a molecular weight of 494.64 g/mol, XLogP of 11.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene is sourced from PubChem (CID 123622975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).