9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene

C59H45NS — CID 144907617

IUPAC9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene
SMILESCc1ccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C37H25NS.2C11H10/c1-24-14-16-25(17-15-24)28-8-2-3-9-29(28)26-18-20-31-30-10-4-6-12-34(30)38(35(31)22-26)27-19-21-33-32-11-5-7-13-36(32)39-37(33)23-27;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-23H,1H3;2*2-8H,1H3
InChIKeyWDVHBISCGAHQCD-UHFFFAOYSA-N
MW800.08 g/mol
LogP17.09
Rot. Bonds3

About 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene

9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene (PubChem CID 144907617) has the molecular formula C59H45NS and a molecular weight of 800.08 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene
PubChem CID144907617
Molecular FormulaC59H45NS
Molecular Weight800.08 g/mol
Exact Mass799.33
IUPAC Name9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene
SMILESCc1ccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/C37H25NS.2C11H10/c1-24-14-16-25(17-15-24)28-8-2-3-9-29(28)26-18-20-31-30-10-4-6-12-34(30)38(35(31)22-26)27-19-21-33-32-11-5-7-13-36(32)39-37(33)23-27;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-23H,1H3;2*2-8H,1H3
InChIKeyWDVHBISCGAHQCD-UHFFFAOYSA-N
XLogP17.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.08
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146621642
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole
CID 159813733
9-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;9-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenylcarbazole;3-naphthalen-1-yl-9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159816780
2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
CID 144820946
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
ethane;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157391969
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene?
The IUPAC name of 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene (CID 144907617) is 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene.
What is the SMILES notation for 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene?
The canonical SMILES for 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene is Cc1ccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene?
The InChIKey is WDVHBISCGAHQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NS.2C11H10/c1-24-14-16-25(17-15-24)28-8-2-3-9-29(28)26-18-20-31-30-10-4-6-12-34(30)38(35(31)22-26)27-19-21-33-32-11-5-7-13-36(32)39-37(33)23-27;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-23H,1H3;2*2-8H,1H3.
What are the key properties of 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene?
9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene has a molecular weight of 800.08 g/mol, XLogP of 17.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-2-[2-(4-methylphenyl)phenyl]carbazole;1-methylnaphthalene;2-methylnaphthalene is sourced from PubChem (CID 144907617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).