1-(3,5-diphenylphenyl)-2,3,5-triphenylindole

C44H31N — CID 126620765

IUPAC1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C44H31N/c1-6-16-32(17-7-1)37-26-27-42-41(31-37)43(35-22-12-4-13-23-35)44(36-24-14-5-15-25-36)45(42)40-29-38(33-18-8-2-9-19-33)28-39(30-40)34-20-10-3-11-21-34/h1-31H
InChIKeyLZJMNRPVDGECPO-UHFFFAOYSA-N
MW573.74 g/mol
LogP11.97
Rot. Bonds6

About 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole

1-(3,5-diphenylphenyl)-2,3,5-triphenylindole (PubChem CID 126620765) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole.

Molecular Properties

Compound Name1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
PubChem CID126620765
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C44H31N/c1-6-16-32(17-7-1)37-26-27-42-41(31-37)43(35-22-12-4-13-23-35)44(36-24-14-5-15-25-36)45(42)40-29-38(33-18-8-2-9-19-33)28-39(30-40)34-20-10-3-11-21-34/h1-31H
InChIKeyLZJMNRPVDGECPO-UHFFFAOYSA-N
XLogP11.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131782
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3-(2,3-diphenylindol-1-yl)-5-triphenylen-2-ylbenzonitrile
CID 88924744
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58161036
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
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-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole?
The IUPAC name of 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole (CID 126620765) is 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole.
What is the SMILES notation for 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole?
The canonical SMILES for 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole?
The InChIKey is LZJMNRPVDGECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-6-16-32(17-7-1)37-26-27-42-41(31-37)43(35-22-12-4-13-23-35)44(36-24-14-5-15-25-36)45(42)40-29-38(33-18-8-2-9-19-33)28-39(30-40)34-20-10-3-11-21-34/h1-31H.
What are the key properties of 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole?
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole has a molecular weight of 573.74 g/mol, XLogP of 11.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylphenyl)-2,3,5-triphenylindole is sourced from PubChem (CID 126620765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).