4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole

C46H27NS — CID 122434564

IUPAC4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cccc32)cc1
InChIInChI=1S/C46H27NS/c1-2-11-32(12-3-1)47-41-17-5-4-13-37(41)46-33(14-8-18-42(46)47)31-21-24-44-40(27-31)39-26-30(20-23-43(39)48-44)29-19-22-34-35-15-6-9-28-10-7-16-36(45(28)35)38(34)25-29/h1-27H
InChIKeyXIZOAVIDKKRBBB-UHFFFAOYSA-N
MW625.80 g/mol
LogP13.29
Rot. Bonds3

About 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole

4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole (PubChem CID 122434564) has the molecular formula C46H27NS and a molecular weight of 625.80 g/mol. Its IUPAC name is 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
PubChem CID122434564
Molecular FormulaC46H27NS
Molecular Weight625.80 g/mol
Exact Mass625.19
IUPAC Name4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cccc32)cc1
InChIInChI=1S/C46H27NS/c1-2-11-32(12-3-1)47-41-17-5-4-13-37(41)46-33(14-8-18-42(46)47)31-21-24-44-40(27-31)39-26-30(20-23-43(39)48-44)29-19-22-34-35-15-6-9-28-10-7-16-36(45(28)35)38(34)25-29/h1-27H
InChIKeyXIZOAVIDKKRBBB-UHFFFAOYSA-N
XLogP13.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.80
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
CID 144820946
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
4-(8-fluoranthen-8-yldibenzofuran-2-yl)-9-phenylcarbazole;toluene
CID 144820915
2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434626
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
3-[8-(9-phenylcarbazol-4-yl)dibenzothiophen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434531
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599828

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole (CID 122434564) is 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cccc32)cc1.
What is the InChIKey of 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The InChIKey is XIZOAVIDKKRBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS/c1-2-11-32(12-3-1)47-41-17-5-4-13-37(41)46-33(14-8-18-42(46)47)31-21-24-44-40(27-31)39-26-30(20-23-43(39)48-44)29-19-22-34-35-15-6-9-28-10-7-16-36(45(28)35)38(34)25-29/h1-27H.
What are the key properties of 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole?
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole has a molecular weight of 625.80 g/mol, XLogP of 13.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 122434564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).