11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C39H30N4O — CID 145077596

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)N2)cc1
InChIInChI=1S/C39H30N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36/h1-24,37-42H
InChIKeyBLQGZTMHJQMSPA-UHFFFAOYSA-N
MW570.70 g/mol
LogP8.86
Rot. Bonds4

About 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 145077596) has the molecular formula C39H30N4O and a molecular weight of 570.70 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID145077596
Molecular FormulaC39H30N4O
Molecular Weight570.70 g/mol
Exact Mass570.24
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)N2)cc1
InChIInChI=1S/C39H30N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36/h1-24,37-42H
InChIKeyBLQGZTMHJQMSPA-UHFFFAOYSA-N
XLogP8.86
TPSA54.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 58.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

25-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 126680118
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
15-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-10-phenyl-25-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
CID 126677995
9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 163867295
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145390759
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
CID 163880691

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 145077596) is 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(C2NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)N2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is BLQGZTMHJQMSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4O/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36/h1-24,37-42H.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 570.70 g/mol, XLogP of 8.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 145077596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).