5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole

C79H54N4O — CID 159969204

IUPAC5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C43H31N3.C36H23NO/c1-43(2)36-19-11-9-17-32(36)34-26-41-35(25-37(34)43)33-18-10-12-20-40(33)46(41)31-23-21-29(22-24-31)39-27-38(28-13-5-3-6-14-28)44-42(45-39)30-15-7-4-8-16-30;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35/h3-27H,1-2H3;1-23H
InChIKeyOEIAWUKUHJPZNC-UHFFFAOYSA-N
MW1075.33 g/mol
LogP20.90
Rot. Bonds7

About 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole

5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 159969204) has the molecular formula C79H54N4O and a molecular weight of 1075.33 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID159969204
Molecular FormulaC79H54N4O
Molecular Weight1075.33 g/mol
Exact Mass1074.43
IUPAC Name5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C43H31N3.C36H23NO/c1-43(2)36-19-11-9-17-32(36)34-26-41-35(25-37(34)43)33-18-10-12-20-40(33)46(41)31-23-21-29(22-24-31)39-27-38(28-13-5-3-6-14-28)44-42(45-39)30-15-7-4-8-16-30;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35/h3-27H,1-2H3;1-23H
InChIKeyOEIAWUKUHJPZNC-UHFFFAOYSA-N
XLogP20.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.33
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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Related Compounds

5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
19-(9,9-dimethylfluoren-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8,15-diphenyl-19-(3-phenylphenyl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 157124821
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 157374919
9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161239620
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158381468
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[3-dibenzofuran-2-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678611
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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 159969204) is 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is OEIAWUKUHJPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3.C36H23NO/c1-43(2)36-19-11-9-17-32(36)34-26-41-35(25-37(34)43)33-18-10-12-20-40(33)46(41)31-23-21-29(22-24-31)39-27-38(28-13-5-3-6-14-28)44-42(45-39)30-15-7-4-8-16-30;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35/h3-27H,1-2H3;1-23H.
What are the key properties of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 1075.33 g/mol, XLogP of 20.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 159969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).