2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole

C46H27NS — CID 122434626

IUPAC2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5c4)cc32)cc1
InChIInChI=1S/C46H27NS/c1-2-9-31(10-3-1)47-42-16-7-6-13-35(42)36-20-17-29(27-43(36)47)28-18-23-44-40(25-28)41-26-30(19-24-45(41)48-44)32-21-22-39-34-12-5-4-11-33(34)38-15-8-14-37(32)46(38)39/h1-27H
InChIKeyWIRJNFNFTIDVQG-UHFFFAOYSA-N
MW625.80 g/mol
LogP13.29
Rot. Bonds3

About 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole

2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole (PubChem CID 122434626) has the molecular formula C46H27NS and a molecular weight of 625.80 g/mol. Its IUPAC name is 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
PubChem CID122434626
Molecular FormulaC46H27NS
Molecular Weight625.80 g/mol
Exact Mass625.19
IUPAC Name2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5c4)cc32)cc1
InChIInChI=1S/C46H27NS/c1-2-9-31(10-3-1)47-42-16-7-6-13-35(42)36-20-17-29(27-43(36)47)28-18-23-44-40(25-28)41-26-30(19-24-45(41)48-44)32-21-22-39-34-12-5-4-11-33(34)38-15-8-14-37(32)46(38)39/h1-27H
InChIKeyWIRJNFNFTIDVQG-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

Analyze 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
CID 144820946
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
9-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580852
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 118534100
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The IUPAC name of 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole (CID 122434626) is 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c5c4)cc32)cc1.
What is the InChIKey of 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole?
The InChIKey is WIRJNFNFTIDVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS/c1-2-9-31(10-3-1)47-42-16-7-6-13-35(42)36-20-17-29(27-43(36)47)28-18-23-44-40(25-28)41-26-30(19-24-45(41)48-44)32-21-22-39-34-12-5-4-11-33(34)38-15-8-14-37(32)46(38)39/h1-27H.
What are the key properties of 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole?
2-(8-fluoranthen-3-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 2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 122434626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).