2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene

C66H44 — CID 173292165

IUPAC2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene
SMILESc1ccc(-c2cc3c(-c4ccccc4)c4cc5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6-c6ccccc6)c5cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C66H44/c1-8-24-45(25-9-1)53-38-22-23-39-54(53)66-58-44-62-59(41-52(58)40-57(48-30-14-4-15-31-48)65(66)51-36-20-7-21-37-51)63(49-32-16-5-17-33-49)60-42-55(46-26-10-2-11-27-46)56(47-28-12-3-13-29-47)43-61(60)64(62)50-34-18-6-19-35-50/h1-44H
InChIKeyPXBMXOGNVJKJDX-UHFFFAOYSA-N
MW837.08 g/mol
LogP18.48
Rot. Bonds8

About 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene

2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene (PubChem CID 173292165) has the molecular formula C66H44 and a molecular weight of 837.08 g/mol. Its IUPAC name is 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene.

Molecular Properties

Compound Name2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene
PubChem CID173292165
Molecular FormulaC66H44
Molecular Weight837.08 g/mol
Exact Mass836.34
IUPAC Name2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene
SMILESc1ccc(-c2cc3c(-c4ccccc4)c4cc5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6-c6ccccc6)c5cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C66H44/c1-8-24-45(25-9-1)53-38-22-23-39-54(53)66-58-44-62-59(41-52(58)40-57(48-30-14-4-15-31-48)65(66)51-36-20-7-21-37-51)63(49-32-16-5-17-33-49)60-42-55(46-26-10-2-11-27-46)56(47-28-12-3-13-29-47)43-61(60)64(62)50-34-18-6-19-35-50/h1-44H
InChIKeyPXBMXOGNVJKJDX-UHFFFAOYSA-N
XLogP18.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 518.48
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

2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
3,14-bis(2-phenylphenyl)octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123433065
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
5-(2,5-diphenylphenyl)-12-phenyltetracene;5-(3,5-diphenylphenyl)-12-phenyltetracene;5-(2-phenylphenyl)-12-(3-phenylphenyl)tetracene;5-phenyl-12-(2-phenylphenyl)tetracene;5-phenyl-12-(3-phenylphenyl)tetracene
CID 158460442
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
CID 150895090
16,31-diphenyl-7,38-bis(2-phenylphenyl)tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaene
CID 21022521

Frequently Asked Questions

What is the IUPAC name of 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene?
The IUPAC name of 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene (CID 173292165) is 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene.
What is the SMILES notation for 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene?
The canonical SMILES for 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene is c1ccc(-c2cc3c(-c4ccccc4)c4cc5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6-c6ccccc6)c5cc4c(-c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene?
The InChIKey is PXBMXOGNVJKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44/c1-8-24-45(25-9-1)53-38-22-23-39-54(53)66-58-44-62-59(41-52(58)40-57(48-30-14-4-15-31-48)65(66)51-36-20-7-21-37-51)63(49-32-16-5-17-33-49)60-42-55(46-26-10-2-11-27-46)56(47-28-12-3-13-29-47)43-61(60)64(62)50-34-18-6-19-35-50/h1-44H.
What are the key properties of 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene?
2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene has a molecular weight of 837.08 g/mol, XLogP of 18.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene is sourced from PubChem (CID 173292165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).