9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole

C55H39N5S2 — CID 101215396

IUPAC9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8CC)s6)cc5)cc4)s3)ccc21
InChIInChI=1S/C55H39N5S2/c1-3-59-45-13-7-5-10-40(45)42-32-38(23-25-47(42)59)51-29-27-49(61-51)34-15-19-36(20-16-34)53-54(58-55-44(57-53)12-9-31-56-55)37-21-17-35(18-22-37)50-28-30-52(62-50)39-24-26-48-43(33-39)41-11-6-8-14-46(41)60(48)4-2/h5-33H,3-4H2,1-2H3
InChIKeyNPBKSHDUFSMEPG-UHFFFAOYSA-N
MW834.09 g/mol
LogP15.41
Rot. Bonds8

About 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole

9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole (PubChem CID 101215396) has the molecular formula C55H39N5S2 and a molecular weight of 834.09 g/mol. Its IUPAC name is 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
PubChem CID101215396
Molecular FormulaC55H39N5S2
Molecular Weight834.09 g/mol
Exact Mass833.26
IUPAC Name9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8CC)s6)cc5)cc4)s3)ccc21
InChIInChI=1S/C55H39N5S2/c1-3-59-45-13-7-5-10-40(45)42-32-38(23-25-47(42)59)51-29-27-49(61-51)34-15-19-36(20-16-34)53-54(58-55-44(57-53)12-9-31-56-55)37-21-17-35(18-22-37)50-28-30-52(62-50)39-24-26-48-43(33-39)41-11-6-8-14-46(41)60(48)4-2/h5-33H,3-4H2,1-2H3
InChIKeyNPBKSHDUFSMEPG-UHFFFAOYSA-N
XLogP15.41
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.09
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole with MolForge

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Related Compounds

9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
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CID 10041217
7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101215400
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
CID 155929741
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
2,3-bis(4-fluorophenyl)pyrido[2,3-b]pyrazine
CID 23738510
4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline
CID 118319603
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole?
The IUPAC name of 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole (CID 101215396) is 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole is CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5nc6cccnc6nc5-c5ccc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8CC)s6)cc5)cc4)s3)ccc21.
What is the InChIKey of 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole?
The InChIKey is NPBKSHDUFSMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5S2/c1-3-59-45-13-7-5-10-40(45)42-32-38(23-25-47(42)59)51-29-27-49(61-51)34-15-19-36(20-16-34)53-54(58-55-44(57-53)12-9-31-56-55)37-21-17-35(18-22-37)50-28-30-52(62-50)39-24-26-48-43(33-39)41-11-6-8-14-46(41)60(48)4-2/h5-33H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole?
9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole has a molecular weight of 834.09 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole is sourced from PubChem (CID 101215396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).