2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole

C49H36N2 — CID 129085611

IUPAC2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccccc45)c4ccccc4n3-c3ccccc3)cc21
InChIInChI=1S/C49H36N2/c1-49(2)41-27-15-12-24-37(41)38-31-30-34(32-42(38)49)48-46(40-26-14-17-29-44(40)51(48)36-22-10-5-11-23-36)45-39-25-13-16-28-43(39)50(35-20-8-4-9-21-35)47(45)33-18-6-3-7-19-33/h3-32H,1-2H3
InChIKeyPTMZPORNCYCMAG-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.88
Rot. Bonds5

About 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole

2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole (PubChem CID 129085611) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole
PubChem CID129085611
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccccc45)c4ccccc4n3-c3ccccc3)cc21
InChIInChI=1S/C49H36N2/c1-49(2)41-27-15-12-24-37(41)38-31-30-34(32-42(38)49)48-46(40-26-14-17-29-44(40)51(48)36-22-10-5-11-23-36)45-39-25-13-16-28-43(39)50(35-20-8-4-9-21-35)47(45)33-18-6-3-7-19-33/h3-32H,1-2H3
InChIKeyPTMZPORNCYCMAG-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167312536
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CID 316311
CID 316311
CID 9962045
CID 9962045
CID 12046749
CID 12046749
CID 12218945
CID 12218945
CID 21032473
CID 21032473
CID 22020377
CID 22020377
CID 22020378
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CID 23386664
CID 23386664

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole (CID 129085611) is 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole is CC1(C)c2ccccc2-c2ccc(-c3c(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccccc45)c4ccccc4n3-c3ccccc3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole?
The InChIKey is PTMZPORNCYCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)41-27-15-12-24-37(41)38-31-30-34(32-42(38)49)48-46(40-26-14-17-29-44(40)51(48)36-22-10-5-11-23-36)45-39-25-13-16-28-43(39)50(35-20-8-4-9-21-35)47(45)33-18-6-3-7-19-33/h3-32H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole?
2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole has a molecular weight of 652.84 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-phenylindole is sourced from PubChem (CID 129085611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).