2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole

C40H30N4 — CID 118098237

IUPAC2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C)c2c(C)cccc12
InChIInChI=1S/C40H30N4/c1-25-21-22-33(36-26(2)13-12-19-30(25)36)31-23-24-34-32-18-10-11-20-35(32)44(37(34)27(31)3)40-42-38(28-14-6-4-7-15-28)41-39(43-40)29-16-8-5-9-17-29/h4-24H,1-3H3
InChIKeyCWUQFELCTSBDQU-UHFFFAOYSA-N
MW566.71 g/mol
LogP10.05
Rot. Bonds4

About 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole

2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole (PubChem CID 118098237) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole.

Molecular Properties

Compound Name2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole
PubChem CID118098237
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C)c2c(C)cccc12
InChIInChI=1S/C40H30N4/c1-25-21-22-33(36-26(2)13-12-19-30(25)36)31-23-24-34-32-18-10-11-20-35(32)44(37(34)27(31)3)40-42-38(28-14-6-4-7-15-28)41-39(43-40)29-16-8-5-9-17-29/h4-24H,1-3H3
InChIKeyCWUQFELCTSBDQU-UHFFFAOYSA-N
XLogP10.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
CID 135273811
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176880022
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole?
The IUPAC name of 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole (CID 118098237) is 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole.
What is the SMILES notation for 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole?
The canonical SMILES for 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C)c2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole?
The InChIKey is CWUQFELCTSBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-25-21-22-33(36-26(2)13-12-19-30(25)36)31-23-24-34-32-18-10-11-20-35(32)44(37(34)27(31)3)40-42-38(28-14-6-4-7-15-28)41-39(43-40)29-16-8-5-9-17-29/h4-24H,1-3H3.
What are the key properties of 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole?
2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole has a molecular weight of 566.71 g/mol, XLogP of 10.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole is sourced from PubChem (CID 118098237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).