1,2-dinaphthalen-1-yltriphenylene

C38H24 — CID 166134407

IUPAC1,2-dinaphthalen-1-yltriphenylene
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C38H24/c1-3-15-27-25(11-1)13-9-21-29(27)35-23-24-36-32-19-6-5-17-30(32)31-18-7-8-20-34(31)38(36)37(35)33-22-10-14-26-12-2-4-16-28(26)33/h1-24H
InChIKeyBBZXYDZXTOFNAC-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.79
Rot. Bonds2

About 1,2-dinaphthalen-1-yltriphenylene

1,2-dinaphthalen-1-yltriphenylene (PubChem CID 166134407) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1,2-dinaphthalen-1-yltriphenylene.

Molecular Properties

Compound Name1,2-dinaphthalen-1-yltriphenylene
PubChem CID166134407
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name1,2-dinaphthalen-1-yltriphenylene
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C38H24/c1-3-15-27-25(11-1)13-9-21-29(27)35-23-24-36-32-19-6-5-17-30(32)31-18-7-8-20-34(31)38(36)37(35)33-22-10-14-26-12-2-4-16-28(26)33/h1-24H
InChIKeyBBZXYDZXTOFNAC-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-naphthalen-1-yltriphenylene
CID 177294790
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
6-naphthalen-1-yl-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene
CID 123973018

Frequently Asked Questions

What is the IUPAC name of 1,2-dinaphthalen-1-yltriphenylene?
The IUPAC name of 1,2-dinaphthalen-1-yltriphenylene (CID 166134407) is 1,2-dinaphthalen-1-yltriphenylene.
What is the SMILES notation for 1,2-dinaphthalen-1-yltriphenylene?
The canonical SMILES for 1,2-dinaphthalen-1-yltriphenylene is c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1,2-dinaphthalen-1-yltriphenylene?
The InChIKey is BBZXYDZXTOFNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-3-15-27-25(11-1)13-9-21-29(27)35-23-24-36-32-19-6-5-17-30(32)31-18-7-8-20-34(31)38(36)37(35)33-22-10-14-26-12-2-4-16-28(26)33/h1-24H.
What are the key properties of 1,2-dinaphthalen-1-yltriphenylene?
1,2-dinaphthalen-1-yltriphenylene has a molecular weight of 480.61 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinaphthalen-1-yltriphenylene is sourced from PubChem (CID 166134407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).