9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene

C38H26 — CID 145232758

IUPAC9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene
SMILESC1=CC2=CC(C=C1)c1c(cccc1-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)C2
InChIInChI=1S/C38H26/c1-2-13-27-23-25(11-1)24-28-15-10-22-35(36(27)28)38-33-19-7-5-17-31(33)37(32-18-6-8-20-34(32)38)30-21-9-14-26-12-3-4-16-29(26)30/h1-23,27H,24H2
InChIKeyZGOOSDUTGWKMRG-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.17
Rot. Bonds2

About 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene

9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene (PubChem CID 145232758) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene
PubChem CID145232758
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene
SMILESC1=CC2=CC(C=C1)c1c(cccc1-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)C2
InChIInChI=1S/C38H26/c1-2-13-27-23-25(11-1)24-28-15-10-22-35(36(27)28)38-33-19-7-5-17-31(33)37(32-18-6-8-20-34(32)38)30-21-9-14-26-12-3-4-16-29(26)30/h1-23,27H,24H2
InChIKeyZGOOSDUTGWKMRG-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.17
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
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
CID 165170050
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-7,7a-dihydrobenzo[a]anthracene
CID 163827100
ethane;9-naphthalen-1-yl-4a,10-dihydroanthracene
CID 143793732
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene (CID 145232758) is 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene is C1=CC2=CC(C=C1)c1c(cccc1-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)C2.
What is the InChIKey of 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene?
The InChIKey is ZGOOSDUTGWKMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-2-13-27-23-25(11-1)24-28-15-10-22-35(36(27)28)38-33-19-7-5-17-31(33)37(32-18-6-8-20-34(32)38)30-21-9-14-26-12-3-4-16-29(26)30/h1-23,27H,24H2.
What are the key properties of 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene?
9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene has a molecular weight of 482.63 g/mol, XLogP of 10.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene is sourced from PubChem (CID 145232758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).