1,3,5-tris(3,5-diphenylphenyl)indole

C62H43N — CID 126620752

IUPAC1,3,5-tris(3,5-diphenylphenyl)indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c(-c3cc(-c5ccccc5)cc(-c5ccccc5)c3)cn4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-7-19-44(20-8-1)51-33-52(45-21-9-2-10-22-45)36-55(35-51)50-31-32-62-60(42-50)61(58-38-53(46-23-11-3-12-24-46)34-54(39-58)47-25-13-4-14-26-47)43-63(62)59-40-56(48-27-15-5-16-28-48)37-57(41-59)49-29-17-6-18-30-49/h1-43H
InChIKeyNBZVJQGFDIFNJD-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.97
Rot. Bonds9

About 1,3,5-tris(3,5-diphenylphenyl)indole

1,3,5-tris(3,5-diphenylphenyl)indole (PubChem CID 126620752) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 1,3,5-tris(3,5-diphenylphenyl)indole.

Molecular Properties

Compound Name1,3,5-tris(3,5-diphenylphenyl)indole
PubChem CID126620752
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name1,3,5-tris(3,5-diphenylphenyl)indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c(-c3cc(-c5ccccc5)cc(-c5ccccc5)c3)cn4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-7-19-44(20-8-1)51-33-52(45-21-9-2-10-22-45)36-55(35-51)50-31-32-62-60(42-50)61(58-38-53(46-23-11-3-12-24-46)34-54(39-58)47-25-13-4-14-26-47)43-63(62)59-40-56(48-27-15-5-16-28-48)37-57(41-59)49-29-17-6-18-30-49/h1-43H
InChIKeyNBZVJQGFDIFNJD-UHFFFAOYSA-N
XLogP16.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole
CID 158939023
3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole
CID 126620590
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
CID 140898660
1-(5-methyldibenzothiophen-5-ium-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 145261669
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3,5-diphenyl-1-[4-(6-phenyldibenzofuran-4-yl)phenyl]indole;3,5-diphenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole;1-[4-(6-phenyldibenzofuran-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 162223458
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3,5-diphenylphenyl)indole?
The IUPAC name of 1,3,5-tris(3,5-diphenylphenyl)indole (CID 126620752) is 1,3,5-tris(3,5-diphenylphenyl)indole.
What is the SMILES notation for 1,3,5-tris(3,5-diphenylphenyl)indole?
The canonical SMILES for 1,3,5-tris(3,5-diphenylphenyl)indole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c(-c3cc(-c5ccccc5)cc(-c5ccccc5)c3)cn4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1,3,5-tris(3,5-diphenylphenyl)indole?
The InChIKey is NBZVJQGFDIFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-7-19-44(20-8-1)51-33-52(45-21-9-2-10-22-45)36-55(35-51)50-31-32-62-60(42-50)61(58-38-53(46-23-11-3-12-24-46)34-54(39-58)47-25-13-4-14-26-47)43-63(62)59-40-56(48-27-15-5-16-28-48)37-57(41-59)49-29-17-6-18-30-49/h1-43H.
What are the key properties of 1,3,5-tris(3,5-diphenylphenyl)indole?
1,3,5-tris(3,5-diphenylphenyl)indole has a molecular weight of 802.03 g/mol, XLogP of 16.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3,5-diphenylphenyl)indole is sourced from PubChem (CID 126620752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).