12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole

C46H25NO2 — CID 118580736

IUPAC12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccc9oc%10ccccc%10c9c87)cc6c5c4)ccc-2c13
InChIInChI=1S/C46H25NO2/c1-2-9-30-29(8-1)33-13-7-12-32-28(18-19-34(30)44(32)33)26-16-21-41-37(24-26)38-25-27(17-22-42(38)48-41)47-39-14-5-3-10-31(39)35-20-23-43-45(46(35)47)36-11-4-6-15-40(36)49-43/h1-25H
InChIKeyMEVPEADZHUIVGP-UHFFFAOYSA-N
MW623.71 g/mol
LogP13.05
Rot. Bonds2

About 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole

12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 118580736) has the molecular formula C46H25NO2 and a molecular weight of 623.71 g/mol. Its IUPAC name is 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID118580736
Molecular FormulaC46H25NO2
Molecular Weight623.71 g/mol
Exact Mass623.19
IUPAC Name12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccc9oc%10ccccc%10c9c87)cc6c5c4)ccc-2c13
InChIInChI=1S/C46H25NO2/c1-2-9-30-29(8-1)33-13-7-12-32-28(18-19-34(30)44(32)33)26-16-21-41-37(24-26)38-25-27(17-22-42(38)48-41)47-39-14-5-3-10-31(39)35-20-23-43-45(46(35)47)36-11-4-6-15-40(36)49-43/h1-25H
InChIKeyMEVPEADZHUIVGP-UHFFFAOYSA-N
XLogP13.05
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.71
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
15-fluoranthen-8-yl-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678050
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851
17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398485
24-(4-fluoranthen-3-ylphenyl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118580919
10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679257
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
21-(4-fluoranthen-3-ylphenyl)-9,18-dioxa-21-azaheptacyclo[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 118634914

Frequently Asked Questions

What is the IUPAC name of 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole (CID 118580736) is 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole is c1ccc2c(c1)-c1cccc3c(-c4ccc5oc6ccc(-n7c8ccccc8c8ccc9oc%10ccccc%10c9c87)cc6c5c4)ccc-2c13.
What is the InChIKey of 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is MEVPEADZHUIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25NO2/c1-2-9-30-29(8-1)33-13-7-12-32-28(18-19-34(30)44(32)33)26-16-21-41-37(24-26)38-25-27(17-22-42(38)48-41)47-39-14-5-3-10-31(39)35-20-23-43-45(46(35)47)36-11-4-6-15-40(36)49-43/h1-25H.
What are the key properties of 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole?
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 623.71 g/mol, XLogP of 13.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 118580736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).