2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol

C57H46N4O — CID 162363304

IUPAC2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol
SMILESCCCc1cc(-c2nc(-c3ccccc3)nc(C3CC=CC=C3n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)ccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C57H46N4O/c1-4-18-38-33-39(31-32-40(38)44-27-17-26-41(53(44)62)36-19-7-5-8-20-36)55-58-54(37-21-9-6-10-22-37)59-56(60-55)45-25-13-16-30-51(45)61-50-29-15-12-24-43(50)47-34-46-42-23-11-14-28-48(42)57(2,3)49(46)35-52(47)61/h5-17,19-24,26-35,45,62H,4,18,25H2,1-3H3
InChIKeySBMFDEVASJLDTH-UHFFFAOYSA-N
MW803.02 g/mol
LogP14.20
Rot. Bonds8

About 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol

2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol (PubChem CID 162363304) has the molecular formula C57H46N4O and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol
PubChem CID162363304
Molecular FormulaC57H46N4O
Molecular Weight803.02 g/mol
Exact Mass802.37
IUPAC Name2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol
SMILESCCCc1cc(-c2nc(-c3ccccc3)nc(C3CC=CC=C3n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)ccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C57H46N4O/c1-4-18-38-33-39(31-32-40(38)44-27-17-26-41(53(44)62)36-19-7-5-8-20-36)55-58-54(37-21-9-6-10-22-37)59-56(60-55)45-25-13-16-30-51(45)61-50-29-15-12-24-43(50)47-34-46-42-23-11-14-28-48(42)57(2,3)49(46)35-52(47)61/h5-17,19-24,26-35,45,62H,4,18,25H2,1-3H3
InChIKeySBMFDEVASJLDTH-UHFFFAOYSA-N
XLogP14.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 514.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol?
The IUPAC name of 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol (CID 162363304) is 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol.
What is the SMILES notation for 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol?
The canonical SMILES for 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol is CCCc1cc(-c2nc(-c3ccccc3)nc(C3CC=CC=C3n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)ccc1-c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol?
The InChIKey is SBMFDEVASJLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N4O/c1-4-18-38-33-39(31-32-40(38)44-27-17-26-41(53(44)62)36-19-7-5-8-20-36)55-58-54(37-21-9-6-10-22-37)59-56(60-55)45-25-13-16-30-51(45)61-50-29-15-12-24-43(50)47-34-46-42-23-11-14-28-48(42)57(2,3)49(46)35-52(47)61/h5-17,19-24,26-35,45,62H,4,18,25H2,1-3H3.
What are the key properties of 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol?
2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol has a molecular weight of 803.02 g/mol, XLogP of 14.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-propylphenyl]-6-phenylphenol is sourced from PubChem (CID 162363304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).