9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole

C39H32N2 — CID 156577225

IUPAC9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)nc1
InChIInChI=1S/C39H32N2/c1-3-9-34-30(7-1)32-22-26(12-14-35(32)39(34)28-18-24-17-25(20-28)21-29(39)19-24)27-13-15-37-33(23-27)31-8-2-4-10-36(31)41(37)38-11-5-6-16-40-38/h1-16,22-25,28-29H,17-21H2
InChIKeyNQGJNYRVUZYJDL-UHFFFAOYSA-N
MW528.70 g/mol
LogP9.57
Rot. Bonds2

About 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole

9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole (PubChem CID 156577225) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
PubChem CID156577225
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)nc1
InChIInChI=1S/C39H32N2/c1-3-9-34-30(7-1)32-22-26(12-14-35(32)39(34)28-18-24-17-25(20-28)21-29(39)19-24)27-13-15-37-33(23-27)31-8-2-4-10-36(31)41(37)38-11-5-6-16-40-38/h1-16,22-25,28-29H,17-21H2
InChIKeyNQGJNYRVUZYJDL-UHFFFAOYSA-N
XLogP9.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 164940817
3-(9-isoquinolin-3-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809981
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
CID 164940855
10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
CID 163938551
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
2'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)carbazole
CID 165027791
3-(9-pteridin-4-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810088
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The IUPAC name of 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole (CID 156577225) is 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole.
What is the SMILES notation for 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The canonical SMILES for 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)nc1.
What is the InChIKey of 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The InChIKey is NQGJNYRVUZYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2/c1-3-9-34-30(7-1)32-22-26(12-14-35(32)39(34)28-18-24-17-25(20-28)21-29(39)19-24)27-13-15-37-33(23-27)31-8-2-4-10-36(31)41(37)38-11-5-6-16-40-38/h1-16,22-25,28-29H,17-21H2.
What are the key properties of 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole has a molecular weight of 528.70 g/mol, XLogP of 9.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole is sourced from PubChem (CID 156577225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).