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

C57H42N4O — CID 170282776

IUPAC9-[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
SMILESC1=CCC(c2ccc(-c3nc(C4=CC=CC5Oc6cc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)ccc6C45)nc(-c4ccc(C5=CCCC=C5)cc4)n3)cc2)C=C1
InChIInChI=1S/C57H42N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)49-20-12-22-52-54(49)48-34-32-45(36-53(48)62-52)61-50-21-11-10-19-46(50)47-33-31-44(35-51(47)61)39-17-8-3-9-18-39/h1,3-6,8-13,15-37,52,54H,2,7,14H2
InChIKeySDKCSQFSRYSVDE-UHFFFAOYSA-N
MW798.99 g/mol
LogP13.80
Rot. Bonds7

About 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

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 (PubChem CID 170282776) has the molecular formula C57H42N4O and a molecular weight of 798.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID170282776
Molecular FormulaC57H42N4O
Molecular Weight798.99 g/mol
Exact Mass798.34
IUPAC Name9-[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
SMILESC1=CCC(c2ccc(-c3nc(C4=CC=CC5Oc6cc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)ccc6C45)nc(-c4ccc(C5=CCCC=C5)cc4)n3)cc2)C=C1
InChIInChI=1S/C57H42N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)49-20-12-22-52-54(49)48-34-32-45(36-53(48)62-52)61-50-21-11-10-19-46(50)47-33-31-44(35-51(47)61)39-17-8-3-9-18-39/h1,3-6,8-13,15-37,52,54H,2,7,14H2
InChIKeySDKCSQFSRYSVDE-UHFFFAOYSA-N
XLogP13.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
CID 166988314
3-carbazol-9-yl-9-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 177276951
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
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
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
CID 166864733
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-5-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 174274394
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(c2ccc(-c3nc(C4=CC=CC5Oc6cc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)ccc6C45)nc(-c4ccc(C5=CCCC=C5)cc4)n3)cc2)C=C1.
What is the InChIKey of 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?
The InChIKey is SDKCSQFSRYSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)49-20-12-22-52-54(49)48-34-32-45(36-53(48)62-52)61-50-21-11-10-19-46(50)47-33-31-44(35-51(47)61)39-17-8-3-9-18-39/h1,3-6,8-13,15-37,52,54H,2,7,14H2.
What are the key properties of 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?
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 has a molecular weight of 798.99 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170282776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).