2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole

C39H26N4S2 — CID 144730192

IUPAC2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole
SMILESC1=CSN(c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nccs7)c6)cc5n(-c5cccc6ccccc56)c4c3)c2)N1
InChIInChI=1S/C39H26N4S2/c1-2-12-33-26(6-1)7-5-13-36(33)42-37-24-29(27-8-3-10-31(22-27)39-40-18-20-44-39)14-16-34(37)35-17-15-30(25-38(35)42)28-9-4-11-32(23-28)43-41-19-21-45-43/h1-25,41H
InChIKeyHONXUFFRHCELGH-UHFFFAOYSA-N
MW614.80 g/mol
LogP10.84
Rot. Bonds5

About 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole

2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole (PubChem CID 144730192) has the molecular formula C39H26N4S2 and a molecular weight of 614.80 g/mol. Its IUPAC name is 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole.

Molecular Properties

Compound Name2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole
PubChem CID144730192
Molecular FormulaC39H26N4S2
Molecular Weight614.80 g/mol
Exact Mass614.16
IUPAC Name2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole
SMILESC1=CSN(c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nccs7)c6)cc5n(-c5cccc6ccccc56)c4c3)c2)N1
InChIInChI=1S/C39H26N4S2/c1-2-12-33-26(6-1)7-5-13-36(33)42-37-24-29(27-8-3-10-31(22-27)39-40-18-20-44-39)14-16-34(37)35-17-15-30(25-38(35)42)28-9-4-11-32(23-28)43-41-19-21-45-43/h1-25,41H
InChIKeyHONXUFFRHCELGH-UHFFFAOYSA-N
XLogP10.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.80
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683
2-[6-[7-[6-(2,3-dihydro-1,3-thiazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-thiazole
CID 144730137
9-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-naphthalen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158981335
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064095
7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651946
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 71287049
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole?
The IUPAC name of 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole (CID 144730192) is 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole.
What is the SMILES notation for 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole?
The canonical SMILES for 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole is C1=CSN(c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nccs7)c6)cc5n(-c5cccc6ccccc56)c4c3)c2)N1.
What is the InChIKey of 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole?
The InChIKey is HONXUFFRHCELGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4S2/c1-2-12-33-26(6-1)7-5-13-36(33)42-37-24-29(27-8-3-10-31(22-27)39-40-18-20-44-39)14-16-34(37)35-17-15-30(25-38(35)42)28-9-4-11-32(23-28)43-41-19-21-45-43/h1-25,41H.
What are the key properties of 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole?
2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole has a molecular weight of 614.80 g/mol, XLogP of 10.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole is sourced from PubChem (CID 144730192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).