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

C51H34N2O — CID 126656421

IUPAC5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)cc21
InChIInChI=1S/C51H34N2O/c1-51(2)42-20-10-6-16-34(42)35-27-25-33(29-43(35)51)53-45-22-12-8-19-39(45)48-49(53)40(30-41-38-18-9-13-23-47(38)54-50(41)48)31-24-26-37-36-17-7-11-21-44(36)52(46(37)28-31)32-14-4-3-5-15-32/h3-30H,1-2H3
InChIKeyLXQIEYZBWVGDHP-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

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

5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 126656421) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID126656421
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)cc21
InChIInChI=1S/C51H34N2O/c1-51(2)42-20-10-6-16-34(42)35-27-25-33(29-43(35)51)53-45-22-12-8-19-39(45)48-49(53)40(30-41-38-18-9-13-23-47(38)54-50(41)48)31-24-26-37-36-17-7-11-21-44(36)52(46(37)28-31)32-14-4-3-5-15-32/h3-30H,1-2H3
InChIKeyLXQIEYZBWVGDHP-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

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Related Compounds

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
9-(9,9-dimethylfluoren-2-yl)-21-phenyl-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635053
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
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-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 160737128
4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
CID 134252341
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 134252589
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 126656421) is 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is LXQIEYZBWVGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)42-20-10-6-16-34(42)35-27-25-33(29-43(35)51)53-45-22-12-8-19-39(45)48-49(53)40(30-41-38-18-9-13-23-47(38)54-50(41)48)31-24-26-37-36-17-7-11-21-44(36)52(46(37)28-31)32-14-4-3-5-15-32/h3-30H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[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 5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 126656421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).