9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole

C52H34N6 — CID 174196098

IUPAC9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(Cc3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H34N6/c1-2-16-34(17-3-1)35-30-31-49-42(32-35)41-23-9-15-29-48(41)58(49)52-54-50(53-51(55-52)57-46-27-13-7-21-39(46)40-22-8-14-28-47(40)57)33-36-18-4-10-24-43(36)56-44-25-11-5-19-37(44)38-20-6-12-26-45(38)56/h1-32H,33H2
InChIKeyKAWMLPLWIPPCCB-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.42
Rot. Bonds6

About 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole

9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole (PubChem CID 174196098) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole
PubChem CID174196098
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(Cc3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H34N6/c1-2-16-34(17-3-1)35-30-31-49-42(32-35)41-23-9-15-29-48(41)58(49)52-54-50(53-51(55-52)57-46-27-13-7-21-39(46)40-22-8-14-28-47(40)57)33-36-18-4-10-24-43(36)56-44-25-11-5-19-37(44)38-20-6-12-26-45(38)56/h1-32H,33H2
InChIKeyKAWMLPLWIPPCCB-UHFFFAOYSA-N
XLogP12.42
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 170106297
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-1-ylcarbazole
CID 88559195
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole (CID 174196098) is 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(Cc3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The InChIKey is KAWMLPLWIPPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-2-16-34(17-3-1)35-30-31-49-42(32-35)41-23-9-15-29-48(41)58(49)52-54-50(53-51(55-52)57-46-27-13-7-21-39(46)40-22-8-14-28-47(40)57)33-36-18-4-10-24-43(36)56-44-25-11-5-19-37(44)38-20-6-12-26-45(38)56/h1-32H,33H2.
What are the key properties of 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole?
9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole has a molecular weight of 742.89 g/mol, XLogP of 12.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[(2-carbazol-9-ylphenyl)methyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 174196098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).