9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene

C38H28 — CID 123889750

IUPAC9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene
SMILESC1=CCC(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)=Cc2ccccc2CC=C1
InChIInChI=1S/C38H28/c1-2-4-18-30(26-29-17-6-5-15-27(29)14-3-1)37-33-21-9-11-23-35(33)38(36-24-12-10-22-34(36)37)32-25-13-19-28-16-7-8-20-31(28)32/h1-13,15-17,19-26H,14,18H2
InChIKeyXBTYKNSINTUHQQ-UHFFFAOYSA-N
MW484.64 g/mol
LogP10.41
Rot. Bonds2

About 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene

9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene (PubChem CID 123889750) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene
PubChem CID123889750
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene
SMILESC1=CCC(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)=Cc2ccccc2CC=C1
InChIInChI=1S/C38H28/c1-2-4-18-30(26-29-17-6-5-15-27(29)14-3-1)37-33-21-9-11-23-35(33)38(36-24-12-10-22-34(36)37)32-25-13-19-28-16-7-8-20-31(28)32/h1-13,15-17,19-26H,14,18H2
InChIKeyXBTYKNSINTUHQQ-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 510.41
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

9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
CID 58535925
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949

Frequently Asked Questions

What is the IUPAC name of 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene (CID 123889750) is 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene is C1=CCC(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)=Cc2ccccc2CC=C1.
What is the InChIKey of 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene?
The InChIKey is XBTYKNSINTUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28/c1-2-4-18-30(26-29-17-6-5-15-27(29)14-3-1)37-33-21-9-11-23-35(33)38(36-24-12-10-22-34(36)37)32-25-13-19-28-16-7-8-20-31(28)32/h1-13,15-17,19-26H,14,18H2.
What are the key properties of 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene?
9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene has a molecular weight of 484.64 g/mol, XLogP of 10.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,10-dihydrobenzo[10]annulen-11-yl)-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 123889750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).