7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole

C29H19NS — CID 145362377

IUPAC7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole
SMILESCc1ccc2c3c4ccccc4ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C29H19NS/c1-18-10-13-23-26(16-18)30(25-14-11-19-6-2-3-7-21(19)29(23)25)20-12-15-28-24(17-20)22-8-4-5-9-27(22)31-28/h2-17H,1H3
InChIKeyMZONXDDPWQVRND-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.61
Rot. Bonds1

About 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole

7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole (PubChem CID 145362377) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole.

Molecular Properties

Compound Name7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole
PubChem CID145362377
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole
SMILESCc1ccc2c3c4ccccc4ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/C29H19NS/c1-18-10-13-23-26(16-18)30(25-14-11-19-6-2-3-7-21(19)29(23)25)20-12-15-28-24(17-20)22-8-4-5-9-27(22)31-28/h2-17H,1H3
InChIKeyMZONXDDPWQVRND-UHFFFAOYSA-N
XLogP8.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-dibenzothiophen-2-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118488623
12-[20-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 153303269
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
14-dibenzothiophen-2-yl-22,22,25,25-tetramethyl-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177087168
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
9-dibenzothiophen-3-yl-22-phenyl-9,22-diazahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 122465459
9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
CID 163417517
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
8-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-N,N-bis(3-methylphenyl)dibenzothiophen-4-amine
CID 90371829
13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 146787513

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole?
The IUPAC name of 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole (CID 145362377) is 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole.
What is the SMILES notation for 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole?
The canonical SMILES for 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole is Cc1ccc2c3c4ccccc4ccc3n(-c3ccc4sc5ccccc5c4c3)c2c1.
What is the InChIKey of 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole?
The InChIKey is MZONXDDPWQVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-18-10-13-23-26(16-18)30(25-14-11-19-6-2-3-7-21(19)29(23)25)20-12-15-28-24(17-20)22-8-4-5-9-27(22)31-28/h2-17H,1H3.
What are the key properties of 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole?
7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole has a molecular weight of 413.55 g/mol, XLogP of 8.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-2-yl-9-methylbenzo[c]carbazole is sourced from PubChem (CID 145362377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).