3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C123H93N3O2S2 — CID 157191392

IUPAC3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1.CSc1ccc2c(c1)c1cc(SC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H33NS2.C41H31NO2.C40H29N/c1-26-21-27(2)23-29(22-26)42-35-11-7-5-9-33(35)41(34-10-6-8-12-36(34)42)28-13-15-30(16-14-28)43-39-19-17-31(44-3)24-37(39)38-25-32(45-4)18-20-40(38)43;1-26-12-14-27(15-13-26)40-32-8-4-6-10-34(32)41(35-11-7-5-9-33(35)40)28-16-18-29(19-17-28)42-38-22-20-30(43-2)24-36(38)37-25-31(44-3)21-23-39(37)42;1-26-16-22-37-35(24-26)36-25-27(2)17-23-38(36)41(37)30-20-18-29(19-21-30)40-33-14-8-6-12-31(33)39(28-10-4-3-5-11-28)32-13-7-9-15-34(32)40/h5-25H,1-4H3;4-25H,1-3H3;3-25H,1-2H3
InChIKeyAPSVKLOSAJGCFJ-UHFFFAOYSA-N
MW1709.25 g/mol
LogP34.28
Rot. Bonds13

About 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 157191392) has the molecular formula C123H93N3O2S2 and a molecular weight of 1709.25 g/mol. Its IUPAC name is 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID157191392
Molecular FormulaC123H93N3O2S2
Molecular Weight1709.25 g/mol
Exact Mass1707.67
IUPAC Name3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1.CSc1ccc2c(c1)c1cc(SC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C42H33NS2.C41H31NO2.C40H29N/c1-26-21-27(2)23-29(22-26)42-35-11-7-5-9-33(35)41(34-10-6-8-12-36(34)42)28-13-15-30(16-14-28)43-39-19-17-31(44-3)24-37(39)38-25-32(45-4)18-20-40(38)43;1-26-12-14-27(15-13-26)40-32-8-4-6-10-34(32)41(35-11-7-5-9-33(35)40)28-16-18-29(19-17-28)42-38-22-20-30(43-2)24-36(38)37-25-31(44-3)21-23-39(37)42;1-26-16-22-37-35(24-26)36-25-27(2)17-23-38(36)41(37)30-20-18-29(19-21-30)40-33-14-8-6-12-31(33)39(28-10-4-3-5-11-28)32-13-7-9-15-34(32)40/h5-25H,1-4H3;4-25H,1-3H3;3-25H,1-2H3
InChIKeyAPSVKLOSAJGCFJ-UHFFFAOYSA-N
XLogP34.28
TPSA33.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001709.25
LogP ≤ 534.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 157191392) is 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1.CSc1ccc2c(c1)c1cc(SC)ccc1n2-c1ccc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is APSVKLOSAJGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NS2.C41H31NO2.C40H29N/c1-26-21-27(2)23-29(22-26)42-35-11-7-5-9-33(35)41(34-10-6-8-12-36(34)42)28-13-15-30(16-14-28)43-39-19-17-31(44-3)24-37(39)38-25-32(45-4)18-20-40(38)43;1-26-12-14-27(15-13-26)40-32-8-4-6-10-34(32)41(35-11-7-5-9-33(35)40)28-16-18-29(19-17-28)42-38-22-20-30(43-2)24-36(38)37-25-31(44-3)21-23-39(37)42;1-26-16-22-37-35(24-26)36-25-27(2)17-23-38(36)41(37)30-20-18-29(19-21-30)40-33-14-8-6-12-31(33)39(28-10-4-3-5-11-28)32-13-7-9-15-34(32)40/h5-25H,1-4H3;4-25H,1-3H3;3-25H,1-2H3.
What are the key properties of 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1709.25 g/mol, XLogP of 34.28, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]-3,6-bis(methylsulfanyl)carbazole;3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 157191392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).