5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]

C43H29N3OS2 — CID 153492565

IUPAC5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5nsc6c5C5(C7=C(CCCC7)c7ccccc75)c5sccc5-6)c4)cc32)nc1
InChIInChI=1S/C43H29N3OS2/c1-4-15-34-29(12-1)30-13-2-5-16-35(30)43(34)39-40(45-49-41(39)33-21-23-48-42(33)43)26-10-9-11-27(24-26)47-28-19-20-32-31-14-3-6-17-36(31)46(37(32)25-28)38-18-7-8-22-44-38/h1,3-4,6-12,14-15,17-25H,2,5,13,16H2
InChIKeyBNYQEEIFRVZVSI-UHFFFAOYSA-N
MW667.86 g/mol
LogP11.81
Rot. Bonds4

About 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]

5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] (PubChem CID 153492565) has the molecular formula C43H29N3OS2 and a molecular weight of 667.86 g/mol. Its IUPAC name is 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene].

Molecular Properties

Compound Name5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]
PubChem CID153492565
Molecular FormulaC43H29N3OS2
Molecular Weight667.86 g/mol
Exact Mass667.18
IUPAC Name5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5nsc6c5C5(C7=C(CCCC7)c7ccccc75)c5sccc5-6)c4)cc32)nc1
InChIInChI=1S/C43H29N3OS2/c1-4-15-34-29(12-1)30-13-2-5-16-35(30)43(34)39-40(45-49-41(39)33-21-23-48-42(33)43)26-10-9-11-27(24-26)47-28-19-20-32-31-14-3-6-17-36(31)46(37(32)25-28)38-18-7-8-22-44-38/h1,3-4,6-12,14-15,17-25H,2,5,13,16H2
InChIKeyBNYQEEIFRVZVSI-UHFFFAOYSA-N
XLogP11.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] with MolForge

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Related Compounds

2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]
CID 153492605
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611360
14-methyl-1',8'-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-thioxanthene]
CID 165374791
5,7-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611490
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
2-[3-(1,3,2-benzoxathiaborol-2-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 156625673
CID 165375103
CID 165375103
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979

Frequently Asked Questions

What is the IUPAC name of 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]?
The IUPAC name of 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] (CID 153492565) is 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene].
What is the SMILES notation for 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]?
The canonical SMILES for 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-c5nsc6c5C5(C7=C(CCCC7)c7ccccc75)c5sccc5-6)c4)cc32)nc1.
What is the InChIKey of 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]?
The InChIKey is BNYQEEIFRVZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3OS2/c1-4-15-34-29(12-1)30-13-2-5-16-35(30)43(34)39-40(45-49-41(39)33-21-23-48-42(33)43)26-10-9-11-27(24-26)47-28-19-20-32-31-14-3-6-17-36(31)46(37(32)25-28)38-18-7-8-22-44-38/h1,3-4,6-12,14-15,17-25H,2,5,13,16H2.
What are the key properties of 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene]?
5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] has a molecular weight of 667.86 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]spiro[1,2,3,4-tetrahydrofluorene-9,7'-3,9-dithia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene] is sourced from PubChem (CID 153492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).