2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol

C34H26N4O2 — CID 164768547

IUPAC2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol
SMILESCC(C)Oc1nc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C34H26N4O2/c1-21(2)40-34-36-32(35-33(37-34)26-14-8-9-15-31(26)39)24-16-17-29-27(19-24)28-18-22-10-6-7-11-23(22)20-30(28)38(29)25-12-4-3-5-13-25/h3-21,39H,1-2H3
InChIKeyXMHUGZORGKROHW-UHFFFAOYSA-N
MW522.61 g/mol
LogP7.95
Rot. Bonds5

About 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol

2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol (PubChem CID 164768547) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol
PubChem CID164768547
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol
SMILESCC(C)Oc1nc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C34H26N4O2/c1-21(2)40-34-36-32(35-33(37-34)26-14-8-9-15-31(26)39)24-16-17-29-27(19-24)28-18-22-10-6-7-11-23(22)20-30(28)38(29)25-12-4-3-5-13-25/h3-21,39H,1-2H3
InChIKeyXMHUGZORGKROHW-UHFFFAOYSA-N
XLogP7.95
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(7-phenylbenzo[g]carbazol-9-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol
CID 164768767
2-[4-(9-phenylcarbazol-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol
CID 164768724
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621118
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450072
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
5-[2-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621334
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
5-[2-(4-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol (CID 164768547) is 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol is CC(C)Oc1nc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol?
The InChIKey is XMHUGZORGKROHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-21(2)40-34-36-32(35-33(37-34)26-14-8-9-15-31(26)39)24-16-17-29-27(19-24)28-18-22-10-6-7-11-23(22)20-30(28)38(29)25-12-4-3-5-13-25/h3-21,39H,1-2H3.
What are the key properties of 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol?
2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol has a molecular weight of 522.61 g/mol, XLogP of 7.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-phenylbenzo[b]carbazol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 164768547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).