5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole

C54H40N4O — CID 170282863

IUPAC5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccc(-c5ccccc5)cc4)=NC(C4=CCCC=C4)N3)c12
InChIInChI=1S/C54H40N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3,5-7,9-32,51H,4,8H2,1-2H3,(H,55,56,57)
InChIKeyFRVRLONUCWQKOS-UHFFFAOYSA-N
MW760.94 g/mol
LogP13.06
Rot. Bonds5

About 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole

5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 170282863) has the molecular formula C54H40N4O and a molecular weight of 760.94 g/mol. Its IUPAC name is 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID170282863
Molecular FormulaC54H40N4O
Molecular Weight760.94 g/mol
Exact Mass760.32
IUPAC Name5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccc(-c5ccccc5)cc4)=NC(C4=CCCC=C4)N3)c12
InChIInChI=1S/C54H40N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3,5-7,9-32,51H,4,8H2,1-2H3,(H,55,56,57)
InChIKeyFRVRLONUCWQKOS-UHFFFAOYSA-N
XLogP13.06
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 513.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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Related Compounds

9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 166988460
5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166914549
7-phenyl-1-[4-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 148620176
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
5-[19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146258962
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 170282863) is 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccc(-c5ccccc5)cc4)=NC(C4=CCCC=C4)N3)c12.
What is the InChIKey of 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is FRVRLONUCWQKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3,5-7,9-32,51H,4,8H2,1-2H3,(H,55,56,57).
What are the key properties of 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 760.94 g/mol, XLogP of 13.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 170282863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).