3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]

C49H41N3 — CID 168820062

IUPAC3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2nc(-n3c4ccccc4c4ccc(-c5ccccn5)cc43)ccc21
InChIInChI=1S/C49H41N3/c1-47(2,3)31-19-22-39-36(28-31)37-29-32(48(4,5)6)20-23-40(37)49(39)38-15-9-7-14-35(38)46-41(49)24-25-45(51-46)52-43-17-10-8-13-33(43)34-21-18-30(27-44(34)52)42-16-11-12-26-50-42/h7-29H,1-6H3
InChIKeyWILCFXDPOWDWFP-UHFFFAOYSA-N
MW671.89 g/mol
LogP12.18
Rot. Bonds2

About 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]

3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine] (PubChem CID 168820062) has the molecular formula C49H41N3 and a molecular weight of 671.89 g/mol. Its IUPAC name is 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine].

Molecular Properties

Compound Name3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
PubChem CID168820062
Molecular FormulaC49H41N3
Molecular Weight671.89 g/mol
Exact Mass671.33
IUPAC Name3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2nc(-n3c4ccccc4c4ccc(-c5ccccn5)cc43)ccc21
InChIInChI=1S/C49H41N3/c1-47(2,3)31-19-22-39-36(28-31)37-29-32(48(4,5)6)20-23-40(37)49(39)38-15-9-7-14-35(38)46-41(49)24-25-45(51-46)52-43-17-10-8-13-33(43)34-21-18-30(27-44(34)52)42-16-11-12-26-50-42/h7-29H,1-6H3
InChIKeyWILCFXDPOWDWFP-UHFFFAOYSA-N
XLogP12.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)
CID 168820079
2-[6-(6-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600896
2-(7-tert-butylpyren-1-yl)-9-phenyl-7-pyridin-2-ylcarbazole
CID 59736368
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine
CID 168812331
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
CID 164823623
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
CID 161155623
2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164786555

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]?
The IUPAC name of 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine] (CID 168820062) is 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine].
What is the SMILES notation for 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]?
The canonical SMILES for 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine] is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2nc(-n3c4ccccc4c4ccc(-c5ccccn5)cc43)ccc21.
What is the InChIKey of 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]?
The InChIKey is WILCFXDPOWDWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3/c1-47(2,3)31-19-22-39-36(28-31)37-29-32(48(4,5)6)20-23-40(37)49(39)38-15-9-7-14-35(38)46-41(49)24-25-45(51-46)52-43-17-10-8-13-33(43)34-21-18-30(27-44(34)52)42-16-11-12-26-50-42/h7-29H,1-6H3.
What are the key properties of 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]?
3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine] has a molecular weight of 671.89 g/mol, XLogP of 12.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 168820062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).