4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane

C33H31NS — CID 144920008

IUPAC4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane
SMILESCC.Cn1c2cc3ccccc3cc2c2cccc(-c3ccc4c(c3)S(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C31H25NS.C2H6/c1-32-28-18-21-10-5-4-9-20(21)17-27(28)26-13-8-12-23(31(26)32)22-15-16-25-24-11-6-7-14-29(24)33(2,3)30(25)19-22;1-2/h4-19H,1-3H3;1-2H3
InChIKeyBGBVEFFSNMUDQI-UHFFFAOYSA-N
MW473.69 g/mol
LogP9.64
Rot. Bonds1

About 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane

4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane (PubChem CID 144920008) has the molecular formula C33H31NS and a molecular weight of 473.69 g/mol. Its IUPAC name is 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane.

Molecular Properties

Compound Name4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane
PubChem CID144920008
Molecular FormulaC33H31NS
Molecular Weight473.69 g/mol
Exact Mass473.22
IUPAC Name4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane
SMILESCC.Cn1c2cc3ccccc3cc2c2cccc(-c3ccc4c(c3)S(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C31H25NS.C2H6/c1-32-28-18-21-10-5-4-9-20(21)17-27(28)26-13-8-12-23(31(26)32)22-15-16-25-24-11-6-7-14-29(24)33(2,3)30(25)19-22;1-2/h4-19H,1-3H3;1-2H3
InChIKeyBGBVEFFSNMUDQI-UHFFFAOYSA-N
XLogP9.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
CID 126632614
3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
CID 126632627
7,9-dimethyl-1-phenylcarbazole
CID 118392012
3,24-dimethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181664
9-methyl-8-phenylcarbazol-2-amine
CID 170259694
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
CID 170211005
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
CID 146558759
7-methyl-8-phenyl-[1]benzofuro[2,3-b]carbazole
CID 169027641

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane?
The IUPAC name of 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane (CID 144920008) is 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane.
What is the SMILES notation for 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane?
The canonical SMILES for 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane is CC.Cn1c2cc3ccccc3cc2c2cccc(-c3ccc4c(c3)S(C)(C)c3ccccc3-4)c21.
What is the InChIKey of 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane?
The InChIKey is BGBVEFFSNMUDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NS.C2H6/c1-32-28-18-21-10-5-4-9-20(21)17-27(28)26-13-8-12-23(31(26)32)22-15-16-25-24-11-6-7-14-29(24)33(2,3)30(25)19-22;1-2/h4-19H,1-3H3;1-2H3.
What are the key properties of 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane?
4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane has a molecular weight of 473.69 g/mol, XLogP of 9.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane is sourced from PubChem (CID 144920008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).