3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole

C41H37N5 — CID 170669493

IUPAC3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
SMILESCC(C)(C)c1cccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)n2)c1
InChIInChI=1S/C41H37N5/c1-40(2,3)27-15-13-14-26(24-27)37-42-38(45-33-19-10-7-16-29(33)30-17-8-11-20-34(30)45)44-39(43-37)46-35-21-12-9-18-31(35)32-25-28(41(4,5)6)22-23-36(32)46/h7-25H,1-6H3
InChIKeyXAOYRYDXMNQNOZ-UHFFFAOYSA-N
MW599.78 g/mol
LogP10.33
Rot. Bonds3

About 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole

3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 170669493) has the molecular formula C41H37N5 and a molecular weight of 599.78 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
PubChem CID170669493
Molecular FormulaC41H37N5
Molecular Weight599.78 g/mol
Exact Mass599.30
IUPAC Name3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
SMILESCC(C)(C)c1cccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)n2)c1
InChIInChI=1S/C41H37N5/c1-40(2,3)27-15-13-14-26(24-27)37-42-38(45-33-19-10-7-16-29(33)30-17-8-11-20-34(30)45)44-39(43-37)46-35-21-12-9-18-31(35)32-25-28(41(4,5)6)22-23-36(32)46/h7-25H,1-6H3
InChIKeyXAOYRYDXMNQNOZ-UHFFFAOYSA-N
XLogP10.33
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 162485372
[3-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031725
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-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
9-[4,6-bis(4-bromophenyl)-1,3,5-triazin-2-yl]carbazole;9-[4,6-bis(3-bromophenyl)-1,3,5-triazin-2-yl]-3,6-ditert-butylcarbazole;9-[4,6-bis(4-bromophenyl)-1,3,5-triazin-2-yl]-3,6-ditert-butylcarbazole;9-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-3,6-ditert-butylcarbazole;9-[4,6-bis(4-iodophenyl)-1,3,5-triazin-2-yl]-3,6-ditert-butylcarbazole
CID 157229976
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-[4-carbazol-9-yl-6-(3,6-ditert-butylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,4,6-trideuterio-5-[[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilyl]phenyl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 169031797
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 150821440
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole (CID 170669493) is 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole is CC(C)(C)c1cccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)n2)c1.
What is the InChIKey of 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XAOYRYDXMNQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N5/c1-40(2,3)27-15-13-14-26(24-27)37-42-38(45-33-19-10-7-16-29(33)30-17-8-11-20-34(30)45)44-39(43-37)46-35-21-12-9-18-31(35)32-25-28(41(4,5)6)22-23-36(32)46/h7-25H,1-6H3.
What are the key properties of 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 599.78 g/mol, XLogP of 10.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170669493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).