10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C47H40N4O — CID 166953720

IUPAC10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7cc(CCCC)ccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/C47H40N4O/c1-3-5-12-31-18-21-34(22-19-31)46-48-45(33-14-8-7-9-15-33)49-47(50-46)35-23-25-36(26-24-35)51-40-17-11-10-16-39(40)43-41(51)29-28-38-37-27-20-32(13-6-4-2)30-42(37)52-44(38)43/h7-11,14-30H,3-6,12-13H2,1-2H3
InChIKeyFAAYFUSSZXRSPI-UHFFFAOYSA-N
MW676.86 g/mol
LogP12.55
Rot. Bonds10

About 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 166953720) has the molecular formula C47H40N4O and a molecular weight of 676.86 g/mol. Its IUPAC name is 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID166953720
Molecular FormulaC47H40N4O
Molecular Weight676.86 g/mol
Exact Mass676.32
IUPAC Name10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7cc(CCCC)ccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/C47H40N4O/c1-3-5-12-31-18-21-34(22-19-31)46-48-45(33-14-8-7-9-15-33)49-47(50-46)35-23-25-36(26-24-35)51-40-17-11-10-16-39(40)43-41(51)29-28-38-37-27-20-32(13-6-4-2)30-42(37)52-44(38)43/h7-11,14-30H,3-6,12-13H2,1-2H3
InChIKeyFAAYFUSSZXRSPI-UHFFFAOYSA-N
XLogP12.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-phenylphenyl)phenyl]-10-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163650923
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(3-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163446245
9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole
CID 167001652
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548
5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163599158
5-phenyl-10-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 163942946
4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 144644730
3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001586
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014536
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
12-[2-[4-(4-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953804

Frequently Asked Questions

What is the IUPAC name of 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 166953720) is 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is CCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7cc(CCCC)ccc7c6ccc54)cc3)n2)cc1.
What is the InChIKey of 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FAAYFUSSZXRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N4O/c1-3-5-12-31-18-21-34(22-19-31)46-48-45(33-14-8-7-9-15-33)49-47(50-46)35-23-25-36(26-24-35)51-40-17-11-10-16-39(40)43-41(51)29-28-38-37-27-20-32(13-6-4-2)30-42(37)52-44(38)43/h7-11,14-30H,3-6,12-13H2,1-2H3.
What are the key properties of 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 676.86 g/mol, XLogP of 12.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 166953720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).