5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole

C45H29NO2 — CID 90225202

IUPAC5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc21
InChIInChI=1S/C45H29NO2/c1-45(2)36-24-26(28-13-9-14-33-31-10-4-7-16-40(31)47-43(28)33)18-20-29(36)30-21-19-27(25-37(30)45)46-38-15-6-3-12-35(38)42-39(46)23-22-34-32-11-5-8-17-41(32)48-44(34)42/h3-25H,1-2H3
InChIKeyRPPKTXVAJPCEIT-UHFFFAOYSA-N
MW615.73 g/mol
LogP12.56
Rot. Bonds2

About 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 90225202) has the molecular formula C45H29NO2 and a molecular weight of 615.73 g/mol. Its IUPAC name is 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID90225202
Molecular FormulaC45H29NO2
Molecular Weight615.73 g/mol
Exact Mass615.22
IUPAC Name5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc21
InChIInChI=1S/C45H29NO2/c1-45(2)36-24-26(28-13-9-14-33-31-10-4-7-16-40(31)47-43(28)33)18-20-29(36)30-21-19-27(25-37(30)45)46-38-15-6-3-12-35(38)42-39(46)23-22-34-32-11-5-8-17-41(32)48-44(34)42/h3-25H,1-2H3
InChIKeyRPPKTXVAJPCEIT-UHFFFAOYSA-N
XLogP12.56
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
5-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
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-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
15-(9,9-dimethylfluoren-2-yl)-19-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 118545892
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439

Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 90225202) is 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc21.
What is the InChIKey of 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RPPKTXVAJPCEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO2/c1-45(2)36-24-26(28-13-9-14-33-31-10-4-7-16-40(31)47-43(28)33)18-20-29(36)30-21-19-27(25-37(30)45)46-38-15-6-3-12-35(38)42-39(46)23-22-34-32-11-5-8-17-41(32)48-44(34)42/h3-25H,1-2H3.
What are the key properties of 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 615.73 g/mol, XLogP of 12.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90225202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).