5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C67H49N5 — CID 58142150

IUPAC5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1)(c1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1-3
InChIInChI=1S/C67H49N5/c1-66(2)59-39-23-21-37-55(59)57-41-42-58-56-38-22-24-40-60(56)67(62(58)61(57)66,65-69-63(46-25-9-3-10-26-46)68-64(70-65)47-27-11-4-12-28-47)48-43-53(71(49-29-13-5-14-30-49)50-31-15-6-16-32-50)45-54(44-48)72(51-33-17-7-18-34-51)52-35-19-8-20-36-52/h3-45H,1-2H3
InChIKeyICAKHNUHRGRIAY-UHFFFAOYSA-N
MW924.16 g/mol
LogP16.81
Rot. Bonds10

About 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 58142150) has the molecular formula C67H49N5 and a molecular weight of 924.16 g/mol. Its IUPAC name is 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID58142150
Molecular FormulaC67H49N5
Molecular Weight924.16 g/mol
Exact Mass923.40
IUPAC Name5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1)(c1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1-3
InChIInChI=1S/C67H49N5/c1-66(2)59-39-23-21-37-55(59)57-41-42-58-56-38-22-24-40-60(56)67(62(58)61(57)66,65-69-63(46-25-9-3-10-26-46)68-64(70-65)47-27-11-4-12-28-47)48-43-53(71(49-29-13-5-14-30-49)50-31-15-6-16-32-50)45-54(44-48)72(51-33-17-7-18-34-51)52-35-19-8-20-36-52/h3-45H,1-2H3
InChIKeyICAKHNUHRGRIAY-UHFFFAOYSA-N
XLogP16.81
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 58142150) is 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc3c(c21)C(c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1)(c1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1-3.
What is the InChIKey of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is ICAKHNUHRGRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5/c1-66(2)59-39-23-21-37-55(59)57-41-42-58-56-38-22-24-40-60(56)67(62(58)61(57)66,65-69-63(46-25-9-3-10-26-46)68-64(70-65)47-27-11-4-12-28-47)48-43-53(71(49-29-13-5-14-30-49)50-31-15-6-16-32-50)45-54(44-48)72(51-33-17-7-18-34-51)52-35-19-8-20-36-52/h3-45H,1-2H3.
What are the key properties of 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 924.16 g/mol, XLogP of 16.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[2,1-a]fluoren-12-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 58142150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).