2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene

C57H37NS — CID 144820946

IUPAC2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
SMILESCc1cccc2ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cc32)cc1
InChIInChI=1S/C46H27NS.C11H10/c1-2-10-33(11-3-1)47-42-15-5-4-12-35(42)36-21-17-32(27-43(36)47)31-19-23-45-41(26-31)40-25-30(18-22-44(40)48-45)29-16-20-34-37-13-6-8-28-9-7-14-38(46(28)37)39(34)24-29;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-27H;2-8H,1H3
InChIKeyJDNUKLZYYPFBRR-UHFFFAOYSA-N
MW768.00 g/mol
LogP16.43
Rot. Bonds3

About 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene

2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene (PubChem CID 144820946) has the molecular formula C57H37NS and a molecular weight of 768.00 g/mol. Its IUPAC name is 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene.

Molecular Properties

Compound Name2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
PubChem CID144820946
Molecular FormulaC57H37NS
Molecular Weight768.00 g/mol
Exact Mass767.26
IUPAC Name2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
SMILESCc1cccc2ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cc32)cc1
InChIInChI=1S/C46H27NS.C11H10/c1-2-10-33(11-3-1)47-42-15-5-4-12-35(42)36-21-17-32(27-43(36)47)31-19-23-45-41(26-31)40-25-30(18-22-44(40)48-45)29-16-20-34-37-13-6-8-28-9-7-14-38(46(28)37)39(34)24-29;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-27H;2-8H,1H3
InChIKeyJDNUKLZYYPFBRR-UHFFFAOYSA-N
XLogP16.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.00
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434626
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
2-(8-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 170093624
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene?
The IUPAC name of 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene (CID 144820946) is 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene.
What is the SMILES notation for 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene?
The canonical SMILES for 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene is Cc1cccc2ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)cc6c5c4)cc32)cc1.
What is the InChIKey of 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene?
The InChIKey is JDNUKLZYYPFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS.C11H10/c1-2-10-33(11-3-1)47-42-15-5-4-12-35(42)36-21-17-32(27-43(36)47)31-19-23-45-41(26-31)40-25-30(18-22-44(40)48-45)29-16-20-34-37-13-6-8-28-9-7-14-38(46(28)37)39(34)24-29;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-27H;2-8H,1H3.
What are the key properties of 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene?
2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene has a molecular weight of 768.00 g/mol, XLogP of 16.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene is sourced from PubChem (CID 144820946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).