1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole

C62H43N — CID 126620681

IUPAC1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C62H43N/c1-5-13-44(14-6-1)48-21-25-50(26-22-48)52-29-31-54(32-30-52)56-37-38-62-60(42-56)61(55-35-33-53(34-36-55)51-27-23-49(24-28-51)45-15-7-2-8-16-45)43-63(62)59-40-57(46-17-9-3-10-18-46)39-58(41-59)47-19-11-4-12-20-47/h1-43H
InChIKeyPLLBTIQFQLZKRM-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.97
Rot. Bonds9

About 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole

1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole (PubChem CID 126620681) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole.

Molecular Properties

Compound Name1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
PubChem CID126620681
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C62H43N/c1-5-13-44(14-6-1)48-21-25-50(26-22-48)52-29-31-54(32-30-52)56-37-38-62-60(42-56)61(55-35-33-53(34-36-55)51-27-23-49(24-28-51)45-15-7-2-8-16-45)43-63(62)59-40-57(46-17-9-3-10-18-46)39-58(41-59)47-19-11-4-12-20-47/h1-43H
InChIKeyPLLBTIQFQLZKRM-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-tris(3,5-diphenylphenyl)indole
CID 126620752
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
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
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole
CID 126620590
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
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-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole?
The IUPAC name of 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole (CID 126620681) is 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole.
What is the SMILES notation for 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole?
The canonical SMILES for 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6ccc(-c7ccccc7)cc6)cc4)cn5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole?
The InChIKey is PLLBTIQFQLZKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-5-13-44(14-6-1)48-21-25-50(26-22-48)52-29-31-54(32-30-52)56-37-38-62-60(42-56)61(55-35-33-53(34-36-55)51-27-23-49(24-28-51)45-15-7-2-8-16-45)43-63(62)59-40-57(46-17-9-3-10-18-46)39-58(41-59)47-19-11-4-12-20-47/h1-43H.
What are the key properties of 1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole?
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]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-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole is sourced from PubChem (CID 126620681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).