7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole

C37H24N4O — CID 166915507

IUPAC7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(C2N=C(c3cccc4oc5ccccc5c34)NC(n3c4ccccc4c4c5ccccc5ccc43)=N2)cc1
InChIInChI=1S/C37H24N4O/c1-2-12-24(13-3-1)35-38-36(28-17-10-20-32-34(28)27-16-7-9-19-31(27)42-32)40-37(39-35)41-29-18-8-6-15-26(29)33-25-14-5-4-11-23(25)21-22-30(33)41/h1-22,35H,(H,38,39,40)
InChIKeyAMDPFXNXCPJLJM-UHFFFAOYSA-N
MW540.63 g/mol
LogP8.80
Rot. Bonds2

About 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole

7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 166915507) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID166915507
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(C2N=C(c3cccc4oc5ccccc5c34)NC(n3c4ccccc4c4c5ccccc5ccc43)=N2)cc1
InChIInChI=1S/C37H24N4O/c1-2-12-24(13-3-1)35-38-36(28-17-10-20-32-34(28)27-16-7-9-19-31(27)42-32)40-37(39-35)41-29-18-8-6-15-26(29)33-25-14-5-4-11-23(25)21-22-30(33)41/h1-22,35H,(H,38,39,40)
InChIKeyAMDPFXNXCPJLJM-UHFFFAOYSA-N
XLogP8.80
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 118888315
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
12-(4-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166849708
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
4-(6-benzo[c]phenanthren-2-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 158958108
9-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702509
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
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714646

Frequently Asked Questions

What is the IUPAC name of 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 166915507) is 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole is c1ccc(C2N=C(c3cccc4oc5ccccc5c34)NC(n3c4ccccc4c4c5ccccc5ccc43)=N2)cc1.
What is the InChIKey of 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is AMDPFXNXCPJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-2-12-24(13-3-1)35-38-36(28-17-10-20-32-34(28)27-16-7-9-19-31(27)42-32)40-37(39-35)41-29-18-8-6-15-26(29)33-25-14-5-4-11-23(25)21-22-30(33)41/h1-22,35H,(H,38,39,40).
What are the key properties of 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole?
7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 540.63 g/mol, XLogP of 8.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 166915507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).