6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

C50H34N2O — CID 134252589

IUPAC6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C50H34N2O/c1-50(2)41-22-12-9-19-35(41)36-26-25-33(27-42(36)50)39-30-40-37-20-11-14-24-45(37)53-49(40)47-38-21-10-13-23-44(38)52(48(39)47)46-29-34(31-15-5-3-6-16-31)28-43(51-46)32-17-7-4-8-18-32/h3-30H,1-2H3
InChIKeyIJQXQTLLFXABFN-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.39
Rot. Bonds4

About 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134252589) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134252589
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C50H34N2O/c1-50(2)41-22-12-9-19-35(41)36-26-25-33(27-42(36)50)39-30-40-37-20-11-14-24-45(37)53-49(40)47-38-21-10-13-23-44(38)52(48(39)47)46-29-34(31-15-5-3-6-16-31)28-43(51-46)32-17-7-4-8-18-32/h3-30H,1-2H3
InChIKeyIJQXQTLLFXABFN-UHFFFAOYSA-N
XLogP13.39
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327268
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 147760875
4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
CID 134252341
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
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
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
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656552
11-(9,9-dimethylfluoren-2-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213739

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (CID 134252589) is 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is IJQXQTLLFXABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-50(2)41-22-12-9-19-35(41)36-26-25-33(27-42(36)50)39-30-40-37-20-11-14-24-45(37)53-49(40)47-38-21-10-13-23-44(38)52(48(39)47)46-29-34(31-15-5-3-6-16-31)28-43(51-46)32-17-7-4-8-18-32/h3-30H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 678.84 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134252589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).