3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C64H46N4 — CID 163468628

IUPAC3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)cc1-c1ccccc1CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C64H46N4/c1-43-30-32-53(41-58(43)56-27-11-10-20-47(56)33-31-44-16-14-24-49(38-44)45-17-4-2-5-18-45)54-36-37-61-59(42-54)57-28-12-13-29-60(57)68(61)64-66-62(48-21-6-3-7-22-48)65-63(67-64)55-26-15-25-51(40-55)52-35-34-46-19-8-9-23-50(46)39-52/h2-30,32,34-42H,31,33H2,1H3
InChIKeyBUTBUKFTIXBMQF-UHFFFAOYSA-N
MW871.10 g/mol
LogP16.22
Rot. Bonds10

About 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 163468628) has the molecular formula C64H46N4 and a molecular weight of 871.10 g/mol. Its IUPAC name is 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID163468628
Molecular FormulaC64H46N4
Molecular Weight871.10 g/mol
Exact Mass870.37
IUPAC Name3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)cc1-c1ccccc1CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C64H46N4/c1-43-30-32-53(41-58(43)56-27-11-10-20-47(56)33-31-44-16-14-24-49(38-44)45-17-4-2-5-18-45)54-36-37-61-59(42-54)57-28-12-13-29-60(57)68(61)64-66-62(48-21-6-3-7-22-48)65-63(67-64)55-26-15-25-51(40-55)52-35-34-46-19-8-9-23-50(46)39-52/h2-30,32,34-42H,31,33H2,1H3
InChIKeyBUTBUKFTIXBMQF-UHFFFAOYSA-N
XLogP16.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 126760057
2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 163921664
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]carbazole;3-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 160712276
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
CID 159029933
2,4-bis(3,5-diphenylphenyl)-6-(4-methylphenyl)-1,3,5-triazine;9-(4-carbazol-9-yl-6-methyl-1,3,5-triazin-2-yl)carbazole;methane;2-(4-methylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 158735662
9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
CID 170658935
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 163468628) is 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)cc1-c1ccccc1CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is BUTBUKFTIXBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4/c1-43-30-32-53(41-58(43)56-27-11-10-20-47(56)33-31-44-16-14-24-49(38-44)45-17-4-2-5-18-45)54-36-37-61-59(42-54)57-28-12-13-29-60(57)68(61)64-66-62(48-21-6-3-7-22-48)65-63(67-64)55-26-15-25-51(40-55)52-35-34-46-19-8-9-23-50(46)39-52/h2-30,32,34-42H,31,33H2,1H3.
What are the key properties of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 871.10 g/mol, XLogP of 16.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 163468628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).