2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

C186H130 — CID 158945524

IUPAC2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
SMILESCC(C)(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3cccc(C)c3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C54H36.C46H34.C44H32.C42H28/c1-5-15-37(16-6-1)43-29-44(38-17-7-2-8-18-38)32-47(31-43)41-25-27-51-52-28-26-42(36-54(52)50-24-14-13-23-49(50)53(51)35-41)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40;1-46(2,3)33-25-31(29-20-22-42-38-16-6-4-12-34(38)36-14-8-10-18-40(36)44(42)27-29)24-32(26-33)30-21-23-43-39-17-7-5-13-35(39)37-15-9-11-19-41(37)45(43)28-30;1-29-10-7-12-31(22-29)36-25-37(32-13-8-11-30(2)23-32)27-38(26-36)34-15-9-14-33(24-34)35-20-21-43-41-18-4-3-16-39(41)40-17-5-6-19-42(40)44(43)28-35;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)34-14-9-15-35(27-34)36-24-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-36/h1-36H;4-28H,1-3H3;3-28H,1-2H3;1-28H
InChIKeyJKTUSROPOZAYEA-UHFFFAOYSA-N
MW2365.09 g/mol
LogP52.63
Rot. Bonds16

About 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (PubChem CID 158945524) has the molecular formula C186H130 and a molecular weight of 2365.09 g/mol. Its IUPAC name is 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.

Molecular Properties

Compound Name2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
PubChem CID158945524
Molecular FormulaC186H130
Molecular Weight2365.09 g/mol
Exact Mass2363.02
IUPAC Name2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
SMILESCC(C)(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3cccc(C)c3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C54H36.C46H34.C44H32.C42H28/c1-5-15-37(16-6-1)43-29-44(38-17-7-2-8-18-38)32-47(31-43)41-25-27-51-52-28-26-42(36-54(52)50-24-14-13-23-49(50)53(51)35-41)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40;1-46(2,3)33-25-31(29-20-22-42-38-16-6-4-12-34(38)36-14-8-10-18-40(36)44(42)27-29)24-32(26-33)30-21-23-43-39-17-7-5-13-35(39)37-15-9-11-19-41(37)45(43)28-30;1-29-10-7-12-31(22-29)36-25-37(32-13-8-11-30(2)23-32)27-38(26-36)34-15-9-14-33(24-34)35-20-21-43-41-18-4-3-16-39(41)40-17-5-6-19-42(40)44(43)28-35;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)34-14-9-15-35(27-34)36-24-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-36/h1-36H;4-28H,1-3H3;3-28H,1-2H3;1-28H
InChIKeyJKTUSROPOZAYEA-UHFFFAOYSA-N
XLogP52.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002365.09
LogP ≤ 552.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene with MolForge

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Related Compounds

ethane;2-(3-methylphenyl)triphenylene
CID 90881937
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
2,7-bis(3,5-dimethylphenyl)triphenylene
CID 58219988

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The IUPAC name of 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (CID 158945524) is 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.
What is the SMILES notation for 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The canonical SMILES for 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is CC(C)(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3cccc(C)c3)cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1.
What is the InChIKey of 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
The InChIKey is JKTUSROPOZAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36.C46H34.C44H32.C42H28/c1-5-15-37(16-6-1)43-29-44(38-17-7-2-8-18-38)32-47(31-43)41-25-27-51-52-28-26-42(36-54(52)50-24-14-13-23-49(50)53(51)35-41)48-33-45(39-19-9-3-10-20-39)30-46(34-48)40-21-11-4-12-22-40;1-46(2,3)33-25-31(29-20-22-42-38-16-6-4-12-34(38)36-14-8-10-18-40(36)44(42)27-29)24-32(26-33)30-21-23-43-39-17-7-5-13-35(39)37-15-9-11-19-41(37)45(43)28-30;1-29-10-7-12-31(22-29)36-25-37(32-13-8-11-30(2)23-32)27-38(26-36)34-15-9-14-33(24-34)35-20-21-43-41-18-4-3-16-39(41)40-17-5-6-19-42(40)44(43)28-35;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)34-14-9-15-35(27-34)36-24-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-36/h1-36H;4-28H,1-3H3;3-28H,1-2H3;1-28H.
What are the key properties of 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?
2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene has a molecular weight of 2365.09 g/mol, XLogP of 52.63, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 158945524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).