4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

C49H31N5O — CID 155159726

IUPAC4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)c3cc21
InChIInChI=1S/C49H31N5O/c1-49(2)37-22-12-9-19-32(37)35-26-36-33-20-10-13-23-39(33)54(40(36)27-38(35)49)41-25-31(28-50)43(44-34-21-11-14-24-42(34)55-45(41)44)48-52-46(29-15-5-3-6-16-29)51-47(53-48)30-17-7-4-8-18-30/h3-27H,1-2H3
InChIKeyCWRHEHXSOATQAN-UHFFFAOYSA-N
MW705.82 g/mol
LogP12.05
Rot. Bonds4

About 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (PubChem CID 155159726) has the molecular formula C49H31N5O and a molecular weight of 705.82 g/mol. Its IUPAC name is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
PubChem CID155159726
Molecular FormulaC49H31N5O
Molecular Weight705.82 g/mol
Exact Mass705.25
IUPAC Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)c3cc21
InChIInChI=1S/C49H31N5O/c1-49(2)37-22-12-9-19-32(37)35-26-36-33-20-10-13-23-39(33)54(40(36)27-38(35)49)41-25-31(28-50)43(44-34-21-11-14-24-42(34)55-45(41)44)48-52-46(29-15-5-3-6-16-29)51-47(53-48)30-17-7-4-8-18-30/h3-27H,1-2H3
InChIKeyCWRHEHXSOATQAN-UHFFFAOYSA-N
XLogP12.05
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile 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

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155158591
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)dibenzofuran-1-yl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 155159781
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155160141
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
CID 155158816
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (CID 155159726) is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.
What is the SMILES notation for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The canonical SMILES for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)c3cc21.
What is the InChIKey of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The InChIKey is CWRHEHXSOATQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O/c1-49(2)37-22-12-9-19-32(37)35-26-36-33-20-10-13-23-39(33)54(40(36)27-38(35)49)41-25-31(28-50)43(44-34-21-11-14-24-42(34)55-45(41)44)48-52-46(29-15-5-3-6-16-29)51-47(53-48)30-17-7-4-8-18-30/h3-27H,1-2H3.
What are the key properties of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile has a molecular weight of 705.82 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 155159726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).