3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole

C41H30N4 — CID 146522579

IUPAC3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(CCc4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C41H30N4/c1-4-14-31(15-5-1)39-42-40(32-16-6-2-7-17-32)44-41(43-39)33-18-12-13-29(27-33)23-24-30-25-26-38-36(28-30)35-21-10-11-22-37(35)45(38)34-19-8-3-9-20-34/h1-22,25-28H,23-24H2
InChIKeyIWYMMVXTQNRLPJ-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.75
Rot. Bonds7

About 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole

3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole (PubChem CID 146522579) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole
PubChem CID146522579
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(CCc4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C41H30N4/c1-4-14-31(15-5-1)39-42-40(32-16-6-2-7-17-32)44-41(43-39)33-18-12-13-29(27-33)23-24-30-25-26-38-36(28-30)35-21-10-11-22-37(35)45(38)34-19-8-3-9-20-34/h1-22,25-28H,23-24H2
InChIKeyIWYMMVXTQNRLPJ-UHFFFAOYSA-N
XLogP9.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 147484515
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 165067145
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
12-[4,6-bis(3-octylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157107156
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001747

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole (CID 146522579) is 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(CCc4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole?
The InChIKey is IWYMMVXTQNRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-4-14-31(15-5-1)39-42-40(32-16-6-2-7-17-32)44-41(43-39)33-18-12-13-29(27-33)23-24-30-25-26-38-36(28-30)35-21-10-11-22-37(35)45(38)34-19-8-3-9-20-34/h1-22,25-28H,23-24H2.
What are the key properties of 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole?
3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole has a molecular weight of 578.72 g/mol, XLogP of 9.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole is sourced from PubChem (CID 146522579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).