2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C67H44N2O — CID 145140856

IUPAC2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4n(C4=CC=CC(c5ccc6c7c(cccc57)-c5ccccc5-6)C4)c3cc21
InChIInChI=1S/C67H44N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(40-27-31-64-56(34-40)57-36-54-48-21-9-11-25-60(48)68(42-15-4-3-5-16-42)63(54)38-65(57)70-64)26-30-61(53)69(62(55)37-59(52)67)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-31,33-38,41H,32H2,1-2H3
InChIKeyGKJTWPRWRDJDJO-UHFFFAOYSA-N
MW893.10 g/mol
LogP18.15
Rot. Bonds4

About 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140856) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID145140856
Molecular FormulaC67H44N2O
Molecular Weight893.10 g/mol
Exact Mass892.35
IUPAC Name2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4n(C4=CC=CC(c5ccc6c7c(cccc57)-c5ccccc5-6)C4)c3cc21
InChIInChI=1S/C67H44N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(40-27-31-64-56(34-40)57-36-54-48-21-9-11-25-60(48)68(42-15-4-3-5-16-42)63(54)38-65(57)70-64)26-30-61(53)69(62(55)37-59(52)67)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-31,33-38,41H,32H2,1-2H3
InChIKeyGKJTWPRWRDJDJO-UHFFFAOYSA-N
XLogP18.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
2-(5-cyclohexa-1,3-dien-1-yl-7,7-dimethylindeno[2,1-b]carbazol-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 145141020
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 145140854
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 145140856) is 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4n(C4=CC=CC(c5ccc6c7c(cccc57)-c5ccccc5-6)C4)c3cc21.
What is the InChIKey of 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is GKJTWPRWRDJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(40-27-31-64-56(34-40)57-36-54-48-21-9-11-25-60(48)68(42-15-4-3-5-16-42)63(54)38-65(57)70-64)26-30-61(53)69(62(55)37-59(52)67)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-31,33-38,41H,32H2,1-2H3.
What are the key properties of 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 893.10 g/mol, XLogP of 18.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).