7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole

C43H34N4 — CID 163832485

IUPAC7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C43H34N4/c1-43(2)36-20-12-10-18-32(36)34-26-35-33-19-11-13-21-38(33)47(39(35)27-37(34)43)31-24-22-30(23-25-31)42-45-40(28-14-6-4-7-15-28)44-41(46(42)3)29-16-8-5-9-17-29/h4-27,42H,1-3H3
InChIKeyOEVSEVFCNGMTGA-UHFFFAOYSA-N
MW606.77 g/mol
LogP9.93
Rot. Bonds4

About 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole (PubChem CID 163832485) has the molecular formula C43H34N4 and a molecular weight of 606.77 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
PubChem CID163832485
Molecular FormulaC43H34N4
Molecular Weight606.77 g/mol
Exact Mass606.28
IUPAC Name7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C43H34N4/c1-43(2)36-20-12-10-18-32(36)34-26-35-33-19-11-13-21-38(33)47(39(35)27-37(34)43)31-24-22-30(23-25-31)42-45-40(28-14-6-4-7-15-28)44-41(46(42)3)29-16-8-5-9-17-29/h4-27,42H,1-3H3
InChIKeyOEVSEVFCNGMTGA-UHFFFAOYSA-N
XLogP9.93
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole (CID 163832485) is 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole is CN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1.
What is the InChIKey of 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole?
The InChIKey is OEVSEVFCNGMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4/c1-43(2)36-20-12-10-18-32(36)34-26-35-33-19-11-13-21-38(33)47(39(35)27-37(34)43)31-24-22-30(23-25-31)42-45-40(28-14-6-4-7-15-28)44-41(46(42)3)29-16-8-5-9-17-29/h4-27,42H,1-3H3.
What are the key properties of 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole has a molecular weight of 606.77 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 163832485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).