5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole

C42H29N3 — CID 155180269

IUPAC5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cncnc4)cc(-c4ccc5c(ccn5-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C42H29N3/c1-4-10-30(11-5-1)34-21-35(31-12-6-2-7-13-31)23-37(22-34)38-24-36(25-39(26-38)40-27-43-29-44-28-40)32-16-17-42-33(20-32)18-19-45(42)41-14-8-3-9-15-41/h1-29H
InChIKeyKYOPFLJLYIOLFL-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.76
Rot. Bonds6

About 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole

5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole (PubChem CID 155180269) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole.

Molecular Properties

Compound Name5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole
PubChem CID155180269
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cncnc4)cc(-c4ccc5c(ccn5-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C42H29N3/c1-4-10-30(11-5-1)34-21-35(31-12-6-2-7-13-31)23-37(22-34)38-24-36(25-39(26-38)40-27-43-29-44-28-40)32-16-17-42-33(20-32)18-19-45(42)41-14-8-3-9-15-41/h1-29H
InChIKeyKYOPFLJLYIOLFL-UHFFFAOYSA-N
XLogP10.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(3,5-diphenylphenyl)-5-pyridin-3-ylphenyl]-1-pyridin-3-ylindole
CID 155180270
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
CID 71100769
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
CID 71175335
5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
CID 129292671
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
1-methyl-2-propan-2-yl-5-pyrimidin-5-ylindole
CID 70791259
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
CID 152847421
(1-phenylindol-5-yl)methanamine
CID 171652016
3-(3,5-dibromophenyl)-9-(1-phenylindol-5-yl)carbazole
CID 122472199
3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole
CID 129290112
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole?
The IUPAC name of 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole (CID 155180269) is 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole.
What is the SMILES notation for 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole?
The canonical SMILES for 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cncnc4)cc(-c4ccc5c(ccn5-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole?
The InChIKey is KYOPFLJLYIOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-4-10-30(11-5-1)34-21-35(31-12-6-2-7-13-31)23-37(22-34)38-24-36(25-39(26-38)40-27-43-29-44-28-40)32-16-17-42-33(20-32)18-19-45(42)41-14-8-3-9-15-41/h1-29H.
What are the key properties of 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole?
5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole has a molecular weight of 575.72 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole is sourced from PubChem (CID 155180269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).