5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole

C37H29IN2 — CID 143732789

IUPAC5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole
SMILESCCCc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c(I)cc1-c1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C37H29IN2/c1-2-9-26-24-34(28-15-17-37-30(23-28)19-21-40(37)32-12-7-4-8-13-32)35(38)25-33(26)27-14-16-36-29(22-27)18-20-39(36)31-10-5-3-6-11-31/h3-8,10-25H,2,9H2,1H3
InChIKeyDBJATVWSAZFDQA-UHFFFAOYSA-N
MW628.56 g/mol
LogP10.47
Rot. Bonds6

About 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole

5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole (PubChem CID 143732789) has the molecular formula C37H29IN2 and a molecular weight of 628.56 g/mol. Its IUPAC name is 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole.

Molecular Properties

Compound Name5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole
PubChem CID143732789
Molecular FormulaC37H29IN2
Molecular Weight628.56 g/mol
Exact Mass628.14
IUPAC Name5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole
SMILESCCCc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c(I)cc1-c1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C37H29IN2/c1-2-9-26-24-34(28-15-17-37-30(23-28)19-21-40(37)32-12-7-4-8-13-32)35(38)25-33(26)27-14-16-36-29(22-27)18-20-39(36)31-10-5-3-6-11-31/h3-8,10-25H,2,9H2,1H3
InChIKeyDBJATVWSAZFDQA-UHFFFAOYSA-N
XLogP10.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.56
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-1-phenylindole
CID 162411237
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
CID 71100769
(1-phenylindol-5-yl)methanamine
CID 171652016
(1-phenyl-3-propylpyrrol-2-yl)methanol
CID 86019425
5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole
CID 155180269
1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
CID 144941684
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
CID 71175335
N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
CID 152847421
5-(1-methylindol-5-yl)-1-phenylpyridin-2-one
CID 58016427
5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine
CID 159943558
5-[3-(3,5-diphenylphenyl)-5-pyridin-3-ylphenyl]-1-pyridin-3-ylindole
CID 155180270
N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline
CID 132569918

Frequently Asked Questions

What is the IUPAC name of 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole?
The IUPAC name of 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole (CID 143732789) is 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole.
What is the SMILES notation for 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole?
The canonical SMILES for 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole is CCCc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c(I)cc1-c1ccc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole?
The InChIKey is DBJATVWSAZFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29IN2/c1-2-9-26-24-34(28-15-17-37-30(23-28)19-21-40(37)32-12-7-4-8-13-32)35(38)25-33(26)27-14-16-36-29(22-27)18-20-39(36)31-10-5-3-6-11-31/h3-8,10-25H,2,9H2,1H3.
What are the key properties of 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole?
5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole has a molecular weight of 628.56 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole is sourced from PubChem (CID 143732789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).