8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole

C57H39N5O — CID 174370392

IUPAC8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC2C(=C1)N(c1cccc(-c3ccccc3)c1)C1=C2C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3C2C=C1
InChIInChI=1S/C57H39N5O/c1-3-15-36(16-4-1)38-29-31-39(32-30-38)55-58-56(60-57(59-55)62-47-25-10-7-21-42(47)43-22-8-11-26-48(43)62)46-24-14-28-51-52(46)45-33-34-50-53(54(45)63-51)44-23-9-12-27-49(44)61(50)41-20-13-19-40(35-41)37-17-5-2-6-18-37/h1-22,24-35,44-45,54H,23H2
InChIKeyZSHROPVBPRWSHM-UHFFFAOYSA-N
MW809.97 g/mol
LogP13.29
Rot. Bonds6

About 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole

8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 174370392) has the molecular formula C57H39N5O and a molecular weight of 809.97 g/mol. Its IUPAC name is 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole
PubChem CID174370392
Molecular FormulaC57H39N5O
Molecular Weight809.97 g/mol
Exact Mass809.32
IUPAC Name8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC2C(=C1)N(c1cccc(-c3ccccc3)c1)C1=C2C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3C2C=C1
InChIInChI=1S/C57H39N5O/c1-3-15-36(16-4-1)38-29-31-39(32-30-38)55-58-56(60-57(59-55)62-47-25-10-7-21-42(47)43-22-8-11-26-48(43)62)46-24-14-28-51-52(46)45-33-34-50-53(54(45)63-51)44-23-9-12-27-49(44)61(50)41-20-13-19-40(35-41)37-17-5-2-6-18-37/h1-22,24-35,44-45,54H,23H2
InChIKeyZSHROPVBPRWSHM-UHFFFAOYSA-N
XLogP13.29
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.97
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[3-(4-phenylphenyl)phenyl]-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163676525
8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163718922
5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163966387
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
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163534280
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163681880
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758308
11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158016221

Frequently Asked Questions

What is the IUPAC name of 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole (CID 174370392) is 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole is C1=CCC2C(=C1)N(c1cccc(-c3ccccc3)c1)C1=C2C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3C2C=C1.
What is the InChIKey of 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ZSHROPVBPRWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5O/c1-3-15-36(16-4-1)38-29-31-39(32-30-38)55-58-56(60-57(59-55)62-47-25-10-7-21-42(47)43-22-8-11-26-48(43)62)46-24-14-28-51-52(46)45-33-34-50-53(54(45)63-51)44-23-9-12-27-49(44)61(50)41-20-13-19-40(35-41)37-17-5-2-6-18-37/h1-22,24-35,44-45,54H,23H2.
What are the key properties of 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole?
8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 809.97 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 174370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).