9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole

C54H42N8 — CID 163586496

IUPAC9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccccc3c3cc(C)ccc32)c1
InChIInChI=1S/C54H42N8/c1-31-18-23-50-45(26-31)42-14-7-9-16-47(42)61(50)49-25-21-39(53-57-33(3)55-34(4)58-53)29-44(49)38-13-11-12-37(28-38)41-22-20-40(54-59-35(5)56-36(6)60-54)30-52(41)62-48-17-10-8-15-43(48)46-27-32(2)19-24-51(46)62/h7-30H,1-6H3
InChIKeyKLWZAQZECNSGPD-UHFFFAOYSA-N
MW802.99 g/mol
LogP12.77
Rot. Bonds6

About 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole (PubChem CID 163586496) has the molecular formula C54H42N8 and a molecular weight of 802.99 g/mol. Its IUPAC name is 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
PubChem CID163586496
Molecular FormulaC54H42N8
Molecular Weight802.99 g/mol
Exact Mass802.35
IUPAC Name9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccccc3c3cc(C)ccc32)c1
InChIInChI=1S/C54H42N8/c1-31-18-23-50-45(26-31)42-14-7-9-16-47(42)61(50)49-25-21-39(53-57-33(3)55-34(4)58-53)29-44(49)38-13-11-12-37(28-38)41-22-20-40(54-59-35(5)56-36(6)60-54)30-52(41)62-48-17-10-8-15-43(48)46-27-32(2)19-24-51(46)62/h7-30H,1-6H3
InChIKeyKLWZAQZECNSGPD-UHFFFAOYSA-N
XLogP12.77
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.99
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole with MolForge

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Related Compounds

9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163501090
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
CID 159095382
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163902535
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
CID 153396357
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500488
9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 157346069
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole (CID 163586496) is 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccccc3c3cc(C)ccc32)c1.
What is the InChIKey of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole?
The InChIKey is KLWZAQZECNSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N8/c1-31-18-23-50-45(26-31)42-14-7-9-16-47(42)61(50)49-25-21-39(53-57-33(3)55-34(4)58-53)29-44(49)38-13-11-12-37(28-38)41-22-20-40(54-59-35(5)56-36(6)60-54)30-52(41)62-48-17-10-8-15-43(48)46-27-32(2)19-24-51(46)62/h7-30H,1-6H3.
What are the key properties of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole?
9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole has a molecular weight of 802.99 g/mol, XLogP of 12.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole is sourced from PubChem (CID 163586496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).