2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole

C84H56N8S3 — CID 90305844

IUPAC2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole
SMILESCn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3c(c2)-c2cc(-c4ncc(-c5ccccc5)s4)cc(-c4ncc(-c5ccccc5)s4)c2C3)c1
InChIInChI=1S/C84H56N8S3/c1-90-75(52-20-8-3-9-21-52)47-85-80(90)61-32-18-30-57(38-61)59-34-36-73-69(40-59)70-41-60(58-31-19-33-62(39-58)81-86-48-76(91(81)2)53-22-10-4-11-23-53)35-37-74(70)92(73)64-44-66-65-42-63(82-87-49-77(93-82)54-24-12-5-13-25-54)43-71(83-88-50-78(94-83)55-26-14-6-15-27-55)67(65)46-68(66)72(45-64)84-89-51-79(95-84)56-28-16-7-17-29-56/h3-45,47-51H,46H2,1-2H3
InChIKeyNLHIQXATLYVYKN-UHFFFAOYSA-N
MW1273.63 g/mol
LogP22.20
Rot. Bonds13

About 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole

2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole (PubChem CID 90305844) has the molecular formula C84H56N8S3 and a molecular weight of 1273.63 g/mol. Its IUPAC name is 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole
PubChem CID90305844
Molecular FormulaC84H56N8S3
Molecular Weight1273.63 g/mol
Exact Mass1272.38
IUPAC Name2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole
SMILESCn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3c(c2)-c2cc(-c4ncc(-c5ccccc5)s4)cc(-c4ncc(-c5ccccc5)s4)c2C3)c1
InChIInChI=1S/C84H56N8S3/c1-90-75(52-20-8-3-9-21-52)47-85-80(90)61-32-18-30-57(38-61)59-34-36-73-69(40-59)70-41-60(58-31-19-33-62(39-58)81-86-48-76(91(81)2)53-22-10-4-11-23-53)35-37-74(70)92(73)64-44-66-65-42-63(82-87-49-77(93-82)54-24-12-5-13-25-54)43-71(83-88-50-78(94-83)55-26-14-6-15-27-55)67(65)46-68(66)72(45-64)84-89-51-79(95-84)56-28-16-7-17-29-56/h3-45,47-51H,46H2,1-2H3
InChIKeyNLHIQXATLYVYKN-UHFFFAOYSA-N
XLogP22.20
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.63
LogP ≤ 522.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole (CID 90305844) is 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole is Cn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3c(c2)-c2cc(-c4ncc(-c5ccccc5)s4)cc(-c4ncc(-c5ccccc5)s4)c2C3)c1.
What is the InChIKey of 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole?
The InChIKey is NLHIQXATLYVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N8S3/c1-90-75(52-20-8-3-9-21-52)47-85-80(90)61-32-18-30-57(38-61)59-34-36-73-69(40-59)70-41-60(58-31-19-33-62(39-58)81-86-48-76(91(81)2)53-22-10-4-11-23-53)35-37-74(70)92(73)64-44-66-65-42-63(82-87-49-77(93-82)54-24-12-5-13-25-54)43-71(83-88-50-78(94-83)55-26-14-6-15-27-55)67(65)46-68(66)72(45-64)84-89-51-79(95-84)56-28-16-7-17-29-56/h3-45,47-51H,46H2,1-2H3.
What are the key properties of 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole?
2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole has a molecular weight of 1273.63 g/mol, XLogP of 22.20, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 90305844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).