5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C61H36N2O2 — CID 122548602

IUPAC5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C61H36N2O2/c1-7-19-49-41(13-1)42-14-2-8-20-50(42)61(49,37-25-29-39(30-26-37)62-51-21-9-3-17-47(51)57-53(62)35-33-45-43-15-5-11-23-55(43)64-59(45)57)38-27-31-40(32-28-38)63-52-22-10-4-18-48(52)58-54(63)36-34-46-44-16-6-12-24-56(44)65-60(46)58/h1-36H
InChIKeyLHQTWPJHVAPTHT-UHFFFAOYSA-N
MW828.97 g/mol
LogP16.04
Rot. Bonds4

About 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 122548602) has the molecular formula C61H36N2O2 and a molecular weight of 828.97 g/mol. Its IUPAC name is 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID122548602
Molecular FormulaC61H36N2O2
Molecular Weight828.97 g/mol
Exact Mass828.28
IUPAC Name5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C61H36N2O2/c1-7-19-49-41(13-1)42-14-2-8-20-50(42)61(49,37-25-29-39(30-26-37)62-51-21-9-3-17-47(51)57-53(62)35-33-45-43-15-5-11-23-55(43)64-59(45)57)38-27-31-40(32-28-38)63-52-22-10-4-18-48(52)58-54(63)36-34-46-44-16-6-12-24-56(44)65-60(46)58/h1-36H
InChIKeyLHQTWPJHVAPTHT-UHFFFAOYSA-N
XLogP16.04
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.97
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
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-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 129299096
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
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-[9-(4-iodophenyl)fluoren-9-yl]phenyl]carbazole
CID 67326563
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
CID 164769104
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 122548602) is 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.
What is the InChIKey of 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is LHQTWPJHVAPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2O2/c1-7-19-49-41(13-1)42-14-2-8-20-50(42)61(49,37-25-29-39(30-26-37)62-51-21-9-3-17-47(51)57-53(62)35-33-45-43-15-5-11-23-55(43)64-59(45)57)38-27-31-40(32-28-38)63-52-22-10-4-18-48(52)58-54(63)36-34-46-44-16-6-12-24-56(44)65-60(46)58/h1-36H.
What are the key properties of 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 828.97 g/mol, XLogP of 16.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 122548602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).