5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole

C57H41N5O — CID 145265210

IUPAC5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCCC(n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6c7c(cc(-c8nc(-c9ccccc9)nc(C9C=CC=CC9)n8)c65)C5C=CC=CC5O7)c4)cc32)=C1
InChIInChI=1S/C57H41N5O/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)47-35-46-44-26-12-15-30-51(44)63-54(46)52-45-27-11-14-29-49(45)62(53(47)52)41-24-16-21-38(33-41)39-31-32-43-42-25-10-13-28-48(42)61(50(43)34-39)40-22-8-3-9-23-40/h1-8,10-19,21-22,24-35,37,44,51H,9,20,23H2
InChIKeySARZDQXGPTXPHO-UHFFFAOYSA-N
MW811.99 g/mol
LogP13.84
Rot. Bonds6

About 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole

5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 145265210) has the molecular formula C57H41N5O and a molecular weight of 811.99 g/mol. Its IUPAC name is 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID145265210
Molecular FormulaC57H41N5O
Molecular Weight811.99 g/mol
Exact Mass811.33
IUPAC Name5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCCC(n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6c7c(cc(-c8nc(-c9ccccc9)nc(C9C=CC=CC9)n8)c65)C5C=CC=CC5O7)c4)cc32)=C1
InChIInChI=1S/C57H41N5O/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)47-35-46-44-26-12-15-30-51(44)63-54(46)52-45-27-11-14-29-49(45)62(53(47)52)41-24-16-21-38(33-41)39-31-32-43-42-25-10-13-28-48(42)61(50(43)34-39)40-22-8-3-9-23-40/h1-8,10-19,21-22,24-35,37,44,51H,9,20,23H2
InChIKeySARZDQXGPTXPHO-UHFFFAOYSA-N
XLogP13.84
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.99
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole
CID 145265264
2-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121306181
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole
CID 135143609
11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
CID 156574749
9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
CID 170282776
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 145265210) is 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CCCC(n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6c7c(cc(-c8nc(-c9ccccc9)nc(C9C=CC=CC9)n8)c65)C5C=CC=CC5O7)c4)cc32)=C1.
What is the InChIKey of 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SARZDQXGPTXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5O/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)47-35-46-44-26-12-15-30-51(44)63-54(46)52-45-27-11-14-29-49(45)62(53(47)52)41-24-16-21-38(33-41)39-31-32-43-42-25-10-13-28-48(42)61(50(43)34-39)40-22-8-3-9-23-40/h1-8,10-19,21-22,24-35,37,44,51H,9,20,23H2.
What are the key properties of 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole?
5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 811.99 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 145265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).