6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

C42H29N5O — CID 163511090

IUPAC6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3ccc(-n4c5ccccc5c5ccccc54)c(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c23)CN1
InChIInChI=1S/C42H29N5O/c1-2-11-27(12-3-1)40-44-41(29-19-18-26-10-4-5-13-28(26)24-29)46-42(45-40)39-35(20-21-36-38(39)32-22-23-43-25-37(32)48-36)47-33-16-8-6-14-30(33)31-15-7-9-17-34(31)47/h1-24,41,43H,25H2,(H,44,45,46)
InChIKeyDCTNOQBOAQSZAZ-UHFFFAOYSA-N
MW619.73 g/mol
LogP9.25
Rot. Bonds4

About 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (PubChem CID 163511090) has the molecular formula C42H29N5O and a molecular weight of 619.73 g/mol. Its IUPAC name is 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
PubChem CID163511090
Molecular FormulaC42H29N5O
Molecular Weight619.73 g/mol
Exact Mass619.24
IUPAC Name6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3ccc(-n4c5ccccc5c5ccccc54)c(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c23)CN1
InChIInChI=1S/C42H29N5O/c1-2-11-27(12-3-1)40-44-41(29-19-18-26-10-4-5-13-28(26)24-29)46-42(45-40)39-35(20-21-36-38(39)32-22-23-43-25-37(32)48-36)47-33-16-8-6-14-30(33)31-15-7-9-17-34(31)47/h1-24,41,43H,25H2,(H,44,45,46)
InChIKeyDCTNOQBOAQSZAZ-UHFFFAOYSA-N
XLogP9.25
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.73
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
9-(6-benzo[g]phenanthren-3-yl-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
CID 166801665
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 163934402
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166915890
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166916359
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
CID 166801783
7-[7-(2-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-3,4-dihydrodibenzofuran-3-yl]naphthalene-1,2,3,4,5,6,8-heptol
CID 167402658

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (CID 163511090) is 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is C1=Cc2c(oc3ccc(-n4c5ccccc5c5ccccc54)c(C4=NC(c5ccc6ccccc6c5)N=C(c5ccccc5)N4)c23)CN1.
What is the InChIKey of 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The InChIKey is DCTNOQBOAQSZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5O/c1-2-11-27(12-3-1)40-44-41(29-19-18-26-10-4-5-13-28(26)24-29)46-42(45-40)39-35(20-21-36-38(39)32-22-23-43-25-37(32)48-36)47-33-16-8-6-14-30(33)31-15-7-9-17-34(31)47/h1-24,41,43H,25H2,(H,44,45,46).
What are the key properties of 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine has a molecular weight of 619.73 g/mol, XLogP of 9.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163511090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).