4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

C51H34N4O — CID 167233528

IUPAC4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4ccc5oc6c(-c7ccccc7)cccc6c5c43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)41-22-11-13-26-44(41)55-43-25-12-10-21-39(43)40-31-32-45-46(47(40)55)42-24-14-23-38(48(42)56-45)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54)
InChIKeyLJJFYRSBRLWERN-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

About 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 167233528) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID167233528
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4ccc5oc6c(-c7ccccc7)cccc6c5c43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)41-22-11-13-26-44(41)55-43-25-12-10-21-39(43)40-31-32-45-46(47(40)55)42-24-14-23-38(48(42)56-45)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54)
InChIKeyLJJFYRSBRLWERN-UHFFFAOYSA-N
XLogP12.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
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
2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
3,6-diphenyl-9-[2-(2-phenyl-6-triphenylen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 170067682
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
CID 166670199
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-(4-naphthalen-1-ylphenyl)-6-phenyl-4-(9-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,4-dihydro-1,3,5-triazine
CID 166975785
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164953799

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 167233528) is 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4ccc5oc6c(-c7ccccc7)cccc6c5c43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LJJFYRSBRLWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)41-22-11-13-26-44(41)55-43-25-12-10-21-39(43)40-31-32-45-46(47(40)55)42-24-14-23-38(48(42)56-45)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54).
What are the key properties of 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 167233528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).