9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole

C50H35N7 — CID 163834153

IUPAC9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESCC1C=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C50H35N7/c1-32-11-18-45-41(29-32)43-31-37(15-20-47(43)56(45)38-7-3-2-4-8-38)36-14-19-46-42(30-36)40-9-5-6-10-44(40)57(46)39-16-12-33(13-17-39)48-53-49(34-21-25-51-26-22-34)55-50(54-48)35-23-27-52-28-24-35/h2-28,30-32H,29H2,1H3
InChIKeyOGFVOBAICCLTHO-UHFFFAOYSA-N
MW733.88 g/mol
LogP11.58
Rot. Bonds6

About 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole

9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole (PubChem CID 163834153) has the molecular formula C50H35N7 and a molecular weight of 733.88 g/mol. Its IUPAC name is 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
PubChem CID163834153
Molecular FormulaC50H35N7
Molecular Weight733.88 g/mol
Exact Mass733.30
IUPAC Name9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
SMILESCC1C=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C50H35N7/c1-32-11-18-45-41(29-32)43-31-37(15-20-47(43)56(45)38-7-3-2-4-8-38)36-14-19-46-42(30-36)40-9-5-6-10-44(40)57(46)39-16-12-33(13-17-39)48-53-49(34-21-25-51-26-22-34)55-50(54-48)35-23-27-52-28-24-35/h2-28,30-32H,29H2,1H3
InChIKeyOGFVOBAICCLTHO-UHFFFAOYSA-N
XLogP11.58
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.88
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 163844254
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3-carbazol-9-yl-6-[4-(6-carbazol-9-yl-9-pyridin-4-ylcarbazol-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-pyridin-4-ylcarbazole
CID 139317575
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
CID 118487847
9-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methyl-3,4-dihydrocarbazole
CID 166917192

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole (CID 163834153) is 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole is CC1C=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)ccc3n2-c2ccccc2)C1.
What is the InChIKey of 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole?
The InChIKey is OGFVOBAICCLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N7/c1-32-11-18-45-41(29-32)43-31-37(15-20-47(43)56(45)38-7-3-2-4-8-38)36-14-19-46-42(30-36)40-9-5-6-10-44(40)57(46)39-16-12-33(13-17-39)48-53-49(34-21-25-51-26-22-34)55-50(54-48)35-23-27-52-28-24-35/h2-28,30-32H,29H2,1H3.
What are the key properties of 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole?
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole has a molecular weight of 733.88 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 163834153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).