9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole

C45H30N4O — CID 167032747

IUPAC9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3c(-n4c5ccccc5c5ccccc54)ccc4c3oc3ccccc34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C45H30N4O/c1-3-14-29(15-4-1)31-18-13-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)41-39(27-26-36-35-22-9-12-25-40(35)50-42(36)41)49-37-23-10-7-20-33(37)34-21-8-11-24-38(34)49/h1-28,45H,(H,46,47,48)
InChIKeyPOTBFTQHWRCDOH-UHFFFAOYSA-N
MW642.76 g/mol
LogP10.85
Rot. Bonds5

About 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole

9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole (PubChem CID 167032747) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
PubChem CID167032747
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3c(-n4c5ccccc5c5ccccc54)ccc4c3oc3ccccc34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C45H30N4O/c1-3-14-29(15-4-1)31-18-13-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)41-39(27-26-36-35-22-9-12-25-40(35)50-42(36)41)49-37-23-10-7-20-33(37)34-21-8-11-24-38(34)49/h1-28,45H,(H,46,47,48)
InChIKeyPOTBFTQHWRCDOH-UHFFFAOYSA-N
XLogP10.85
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
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
5-[6-[2,6-bis(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]naphtho[2,1-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 163448900
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
CID 129238529
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
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
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole (CID 167032747) is 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole is c1ccc(C2=NC(c3c(-n4c5ccccc5c5ccccc54)ccc4c3oc3ccccc34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is POTBFTQHWRCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-3-14-29(15-4-1)31-18-13-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)41-39(27-26-36-35-22-9-12-25-40(35)50-42(36)41)49-37-23-10-7-20-33(37)34-21-8-11-24-38(34)49/h1-28,45H,(H,46,47,48).
What are the key properties of 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole?
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 642.76 g/mol, XLogP of 10.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 167032747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).