5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole

C47H30N4O — CID 163717154

IUPAC5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole
SMILESC1=CC2=Cc3c(c4ccccc4n3-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)CC2C=C1
InChIInChI=1S/C47H30N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)37-24-23-34(28-41(37)52-42)51-39-22-12-11-21-36(39)38-25-31-17-7-8-18-32(31)26-40(38)51/h1-24,26-28,31H,25H2
InChIKeyKOJAVHOYOQXVGF-UHFFFAOYSA-N
MW666.78 g/mol
LogP11.55
Rot. Bonds4

About 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole

5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole (PubChem CID 163717154) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole
PubChem CID163717154
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole
SMILESC1=CC2=Cc3c(c4ccccc4n3-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)CC2C=C1
InChIInChI=1S/C47H30N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)37-24-23-34(28-41(37)52-42)51-39-22-12-11-21-36(39)38-25-31-17-7-8-18-32(31)26-40(38)51/h1-24,26-28,31H,25H2
InChIKeyKOJAVHOYOQXVGF-UHFFFAOYSA-N
XLogP11.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-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 162703756
12-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-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;12-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;5-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 163709942
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 154968542
9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 165057427
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
CID 164707430
2-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130823
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl]carbazole
CID 146664716
2-naphthalen-2-yl-4-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130712
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
CID 171730912
5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430148

Frequently Asked Questions

What is the IUPAC name of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole?
The IUPAC name of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole (CID 163717154) is 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole.
What is the SMILES notation for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole?
The canonical SMILES for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole is C1=CC2=Cc3c(c4ccccc4n3-c3ccc4c(c3)oc3cc5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)CC2C=C1.
What is the InChIKey of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole?
The InChIKey is KOJAVHOYOQXVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)37-24-23-34(28-41(37)52-42)51-39-22-12-11-21-36(39)38-25-31-17-7-8-18-32(31)26-40(38)51/h1-24,26-28,31H,25H2.
What are the key properties of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole?
5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole has a molecular weight of 666.78 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-10a,11-dihydrobenzo[b]carbazole is sourced from PubChem (CID 163717154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).