9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole

C43H50N4 — CID 58518448

IUPAC9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole
SMILESCCCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CCCC)ccc1n2-c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C43H50N4/c1-9-11-25-42(5,6)33-21-23-37-35(27-33)36-28-34(43(7,8)26-12-10-2)22-24-38(36)47(37)41-45-39(31-17-13-29(3)14-18-31)44-40(46-41)32-19-15-30(4)16-20-32/h13-24,27-28H,9-12,25-26H2,1-8H3
InChIKeyAQSCBXZMOIZRRY-UHFFFAOYSA-N
MW622.90 g/mol
LogP11.86
Rot. Bonds11

About 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole

9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole (PubChem CID 58518448) has the molecular formula C43H50N4 and a molecular weight of 622.90 g/mol. Its IUPAC name is 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole
PubChem CID58518448
Molecular FormulaC43H50N4
Molecular Weight622.90 g/mol
Exact Mass622.40
IUPAC Name9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole
SMILESCCCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CCCC)ccc1n2-c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C43H50N4/c1-9-11-25-42(5,6)33-21-23-37-35(27-33)36-28-34(43(7,8)26-12-10-2)22-24-38(36)47(37)41-45-39(31-17-13-29(3)14-18-31)44-40(46-41)32-19-15-30(4)16-20-32/h13-24,27-28H,9-12,25-26H2,1-8H3
InChIKeyAQSCBXZMOIZRRY-UHFFFAOYSA-N
XLogP11.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.90
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159409871
3,6-bis[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]-9-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 58556543
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
5-[4-carbazol-9-yl-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 170533140
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-bis(3-phenylcarbazol-9-yl)pyrimidin-2-yl]carbazole
CID 153461388
9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
CID 170444614
9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
CID 58518453
1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
CID 154980919
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole?
The IUPAC name of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole (CID 58518448) is 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole is CCCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CCCC)ccc1n2-c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole?
The InChIKey is AQSCBXZMOIZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N4/c1-9-11-25-42(5,6)33-21-23-37-35(27-33)36-28-34(43(7,8)26-12-10-2)22-24-38(36)47(37)41-45-39(31-17-13-29(3)14-18-31)44-40(46-41)32-19-15-30(4)16-20-32/h13-24,27-28H,9-12,25-26H2,1-8H3.
What are the key properties of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole?
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole has a molecular weight of 622.90 g/mol, XLogP of 11.86, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole is sourced from PubChem (CID 58518448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).