12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole

C57H36F2N2O2 — CID 146509851

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC(C)c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C57H36F2N2O2/c1-32(2)51-52(60-47-15-7-3-11-37(47)41-27-29-43-39-13-5-9-17-49(39)62-56(43)54(41)60)45(33-19-23-35(58)24-20-33)31-46(34-21-25-36(59)26-22-34)53(51)61-48-16-8-4-12-38(48)42-28-30-44-40-14-6-10-18-50(40)63-57(44)55(42)61/h3-32H,1-2H3
InChIKeyXCKPZQMDHDUIBF-UHFFFAOYSA-N
MW818.92 g/mol
LogP16.42
Rot. Bonds5

About 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146509851) has the molecular formula C57H36F2N2O2 and a molecular weight of 818.92 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146509851
Molecular FormulaC57H36F2N2O2
Molecular Weight818.92 g/mol
Exact Mass818.27
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC(C)c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C57H36F2N2O2/c1-32(2)51-52(60-47-15-7-3-11-37(47)41-27-29-43-39-13-5-9-17-49(39)62-56(43)54(41)60)45(33-19-23-35(58)24-20-33)31-46(34-21-25-36(59)26-22-34)53(51)61-48-16-8-4-12-38(48)42-28-30-44-40-14-6-10-18-50(40)63-57(44)55(42)61/h3-32H,1-2H3
InChIKeyXCKPZQMDHDUIBF-UHFFFAOYSA-N
XLogP16.42
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.92
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 149390644
12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 171612107
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 139553531
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-[3-[2,3-bis(4-fluorophenyl)-8-phenylpyrazino[2,3-d]pyridazin-5-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 134578897
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
10-(8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene
CID 167295461

Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole (CID 146509851) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole is CC(C)c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is XCKPZQMDHDUIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F2N2O2/c1-32(2)51-52(60-47-15-7-3-11-37(47)41-27-29-43-39-13-5-9-17-49(39)62-56(43)54(41)60)45(33-19-23-35(58)24-20-33)31-46(34-21-25-36(59)26-22-34)53(51)61-48-16-8-4-12-38(48)42-28-30-44-40-14-6-10-18-50(40)63-57(44)55(42)61/h3-32H,1-2H3.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 818.92 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146509851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).