9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole

C37H23N3S — CID 118530396

IUPAC9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4cn5ccccc5n4)cc3)c(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C37H23N3S/c1-4-12-31-26(9-1)27-10-2-5-13-32(27)40(31)33-21-20-29-28-11-3-6-14-34(28)41-37(29)36(33)25-18-16-24(17-19-25)30-23-39-22-8-7-15-35(39)38-30/h1-23H
InChIKeyDLAHHVIVTXUUNS-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.13
Rot. Bonds3

About 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole

9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole (PubChem CID 118530396) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
PubChem CID118530396
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4cn5ccccc5n4)cc3)c(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C37H23N3S/c1-4-12-31-26(9-1)27-10-2-5-13-32(27)40(31)33-21-20-29-28-11-3-6-14-34(28)41-37(29)36(33)25-18-16-24(17-19-25)30-23-39-22-8-7-15-35(39)38-30/h1-23H
InChIKeyDLAHHVIVTXUUNS-UHFFFAOYSA-N
XLogP10.13
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 153300131
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 118530397
2-(3-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118530436
ethane;3-thia-19-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene
CID 91429169
5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158353313
2-[3-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 118530431
2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]carbazole
CID 164977559
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433
2-[4-[10-[4-[10-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-7-phenylimidazo[1,2-a]pyridine;6-phenyl-2-[4-[10-[4-[10-[4-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 158282374
11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole
CID 144549229
14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123692

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole (CID 118530396) is 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole is c1ccc2c(c1)sc1c(-c3ccc(-c4cn5ccccc5n4)cc3)c(-n3c4ccccc4c4ccccc43)ccc12.
What is the InChIKey of 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole?
The InChIKey is DLAHHVIVTXUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-4-12-31-26(9-1)27-10-2-5-13-32(27)40(31)33-21-20-29-28-11-3-6-14-34(28)41-37(29)36(33)25-18-16-24(17-19-25)30-23-39-22-8-7-15-35(39)38-30/h1-23H.
What are the key properties of 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole?
9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole has a molecular weight of 541.68 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 118530396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).