12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

C60H37N3O — CID 166510159

IUPAC12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c21
InChIInChI=1S/C60H37N3O/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)43-35-41(36-44(37-43)62-55-21-9-3-15-47(55)48-16-4-10-22-56(48)62)40-27-25-38(26-28-40)39-29-31-42(32-30-39)63-57-23-11-5-17-49(57)51-33-34-52-50-18-6-12-24-58(50)64-60(52)59(51)63/h1-37H
InChIKeySCRHBUOVJKXZFJ-UHFFFAOYSA-N
MW815.98 g/mol
LogP16.21
Rot. Bonds5

About 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 166510159) has the molecular formula C60H37N3O and a molecular weight of 815.98 g/mol. Its IUPAC name is 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID166510159
Molecular FormulaC60H37N3O
Molecular Weight815.98 g/mol
Exact Mass815.29
IUPAC Name12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c21
InChIInChI=1S/C60H37N3O/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)43-35-41(36-44(37-43)62-55-21-9-3-15-47(55)48-16-4-10-22-56(48)62)40-27-25-38(26-28-40)39-29-31-42(32-30-39)63-57-23-11-5-17-49(57)51-33-34-52-50-18-6-12-24-58(50)64-60(52)59(51)63/h1-37H
InChIKeySCRHBUOVJKXZFJ-UHFFFAOYSA-N
XLogP16.21
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159106618
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 171612100
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 166510159) is 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c21.
What is the InChIKey of 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is SCRHBUOVJKXZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O/c1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)43-35-41(36-44(37-43)62-55-21-9-3-15-47(55)48-16-4-10-22-56(48)62)40-27-25-38(26-28-40)39-29-31-42(32-30-39)63-57-23-11-5-17-49(57)51-33-34-52-50-18-6-12-24-58(50)64-60(52)59(51)63/h1-37H.
What are the key properties of 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 815.98 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 166510159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).