6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole

C46H40N6 — CID 145345226

IUPAC6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C46H40N6/c1-45(2,3)31-22-24-36-34(27-31)35-28-32(46(4,5)6)23-25-37(35)51(36)39-20-13-19-33-40-38(21-14-26-47-40)52(41(33)39)44-49-42(29-15-9-7-10-16-29)48-43(50-44)30-17-11-8-12-18-30/h7-28H,1-6H3
InChIKeyMZQKARXOPHOKGY-UHFFFAOYSA-N
MW676.87 g/mol
LogP11.39
Rot. Bonds4

About 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole

6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole (PubChem CID 145345226) has the molecular formula C46H40N6 and a molecular weight of 676.87 g/mol. Its IUPAC name is 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole
PubChem CID145345226
Molecular FormulaC46H40N6
Molecular Weight676.87 g/mol
Exact Mass676.33
IUPAC Name6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C46H40N6/c1-45(2,3)31-22-24-36-34(27-31)35-28-32(46(4,5)6)23-25-37(35)51(36)39-20-13-19-33-40-38(21-14-26-47-40)52(41(33)39)44-49-42(29-15-9-7-10-16-29)48-43(50-44)30-17-11-8-12-18-30/h7-28H,1-6H3
InChIKeyMZQKARXOPHOKGY-UHFFFAOYSA-N
XLogP11.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.87
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[2-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131365
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
[9-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]carbazol-3-yl]-triphenylsilane
CID 177073475
2,9-ditert-butyl-5-phenyl-12-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 160739402
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555883
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
2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 142315031

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole (CID 145345226) is 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c3ncccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.
What is the InChIKey of 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole?
The InChIKey is MZQKARXOPHOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N6/c1-45(2,3)31-22-24-36-34(27-31)35-28-32(46(4,5)6)23-25-37(35)51(36)39-20-13-19-33-40-38(21-14-26-47-40)52(41(33)39)44-49-42(29-15-9-7-10-16-29)48-43(50-44)30-17-11-8-12-18-30/h7-28H,1-6H3.
What are the key properties of 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole?
6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole has a molecular weight of 676.87 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 145345226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).