12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole

C48H30N2S — CID 171414793

IUPAC12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6sc7ccccc7c56)c34)c2)cc1
InChIInChI=1S/C48H30N2S/c1-3-14-31(15-4-1)33-28-34(32-16-5-2-6-17-32)30-35(29-33)49-41-22-11-8-19-38(41)47-43(49)27-26-37-36-18-7-10-21-40(36)50(48(37)47)42-23-13-25-45-46(42)39-20-9-12-24-44(39)51-45/h1-30H
InChIKeyMACRVILPDUYWRU-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole

12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole (PubChem CID 171414793) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
PubChem CID171414793
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6sc7ccccc7c56)c34)c2)cc1
InChIInChI=1S/C48H30N2S/c1-3-14-31(15-4-1)33-28-34(32-16-5-2-6-17-32)30-35(29-33)49-41-22-11-8-19-38(41)47-43(49)27-26-37-36-18-7-10-21-40(36)50(48(37)47)42-23-13-25-45-46(42)39-20-9-12-24-44(39)51-45/h1-30H
InChIKeyMACRVILPDUYWRU-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
9-dibenzothiophen-1-yl-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961335
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961037
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705
4-dibenzothiophen-1-yl-9-[3-(4-dibenzothiophen-1-ylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 118262679
15-(3,5-diphenylphenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 146180861
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
23-dibenzothiophen-1-yl-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465477
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856

Frequently Asked Questions

What is the IUPAC name of 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole (CID 171414793) is 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6sc7ccccc7c56)c34)c2)cc1.
What is the InChIKey of 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is MACRVILPDUYWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-3-14-31(15-4-1)33-28-34(32-16-5-2-6-17-32)30-35(29-33)49-41-22-11-8-19-38(41)47-43(49)27-26-37-36-18-7-10-21-40(36)50(48(37)47)42-23-13-25-45-46(42)39-20-9-12-24-44(39)51-45/h1-30H.
What are the key properties of 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole?
12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzothiophen-1-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 171414793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).