2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

C51H34N2O — CID 134223381

IUPAC2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2c5oc6ccccc6c5ccc2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)41-19-11-9-17-35(41)37-23-27-44-47(49(37)51)39-29-31(21-25-42(39)52(44)33-13-5-3-6-14-33)32-22-26-43-40(30-32)48-45(53(43)34-15-7-4-8-16-34)28-24-38-36-18-10-12-20-46(36)54-50(38)48/h3-30H,1-2H3
InChIKeyQFOWRZLVRHIJHT-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

About 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 134223381) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID134223381
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2c5oc6ccccc6c5ccc2n4-c2ccccc2)ccc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)41-19-11-9-17-35(41)37-23-27-44-47(49(37)51)39-29-31(21-25-42(39)52(44)33-13-5-3-6-14-33)32-22-26-43-40(30-32)48-45(53(43)34-15-7-4-8-16-34)28-24-38-36-18-10-12-20-46(36)54-50(38)48/h3-30H,1-2H3
InChIKeyQFOWRZLVRHIJHT-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
10-(12,12-dimethyl-5-phenylindeno[2,1-g]carbazol-3-yl)-4-[5,12-diphenyl-3-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)indolo[3,2-a]carbazol-7-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223495
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
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
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
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
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
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-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 134223381) is 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2c5oc6ccccc6c5ccc2n4-c2ccccc2)ccc1n3-c1ccccc1.
What is the InChIKey of 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is QFOWRZLVRHIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)41-19-11-9-17-35(41)37-23-27-44-47(49(37)51)39-29-31(21-25-42(39)52(44)33-13-5-3-6-14-33)32-22-26-43-40(30-32)48-45(53(43)34-15-7-4-8-16-34)28-24-38-36-18-10-12-20-46(36)54-50(38)48/h3-30H,1-2H3.
What are the key properties of 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 690.85 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134223381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).