1,10-dinaphthalen-1-ylanthracene

C34H22 — CID 58645117

IUPAC1,10-dinaphthalen-1-ylanthracene
SMILESc1ccc2c(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5cc34)cccc2c1
InChIInChI=1S/C34H22/c1-4-15-26-23(10-1)13-7-18-29(26)30-19-9-21-32-33(30)22-25-12-3-6-17-28(25)34(32)31-20-8-14-24-11-2-5-16-27(24)31/h1-22H
InChIKeySWPGPNAQSYYTQQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP9.63
Rot. Bonds2

About 1,10-dinaphthalen-1-ylanthracene

1,10-dinaphthalen-1-ylanthracene (PubChem CID 58645117) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1,10-dinaphthalen-1-ylanthracene.

Molecular Properties

Compound Name1,10-dinaphthalen-1-ylanthracene
PubChem CID58645117
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name1,10-dinaphthalen-1-ylanthracene
SMILESc1ccc2c(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5cc34)cccc2c1
InChIInChI=1S/C34H22/c1-4-15-26-23(10-1)13-7-18-29(26)30-19-9-21-32-33(30)22-25-12-3-6-17-28(25)34(32)31-20-8-14-24-11-2-5-16-27(24)31/h1-22H
InChIKeySWPGPNAQSYYTQQ-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 59.63
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-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412654
9,10-di(anthracen-1-yl)anthracene
CID 58645093
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834610
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene
CID 164708782

Frequently Asked Questions

What is the IUPAC name of 1,10-dinaphthalen-1-ylanthracene?
The IUPAC name of 1,10-dinaphthalen-1-ylanthracene (CID 58645117) is 1,10-dinaphthalen-1-ylanthracene.
What is the SMILES notation for 1,10-dinaphthalen-1-ylanthracene?
The canonical SMILES for 1,10-dinaphthalen-1-ylanthracene is c1ccc2c(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5cc34)cccc2c1.
What is the InChIKey of 1,10-dinaphthalen-1-ylanthracene?
The InChIKey is SWPGPNAQSYYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-4-15-26-23(10-1)13-7-18-29(26)30-19-9-21-32-33(30)22-25-12-3-6-17-28(25)34(32)31-20-8-14-24-11-2-5-16-27(24)31/h1-22H.
What are the key properties of 1,10-dinaphthalen-1-ylanthracene?
1,10-dinaphthalen-1-ylanthracene has a molecular weight of 430.55 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dinaphthalen-1-ylanthracene is sourced from PubChem (CID 58645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).