3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole

C34H29N — CID 156576981

IUPAC3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H29N/c1-3-7-30-26(5-1)27-11-9-23(22-10-12-33-29(18-22)28-6-2-4-8-32(28)35-33)19-31(27)34(30)24-14-20-13-21(16-24)17-25(34)15-20/h1-12,18-21,24-25,35H,13-17H2
InChIKeyZWSWTDVUVSUKIS-UHFFFAOYSA-N
MW451.61 g/mol
LogP8.71
Rot. Bonds1

About 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole

3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole (PubChem CID 156576981) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole.

Molecular Properties

Compound Name3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole
PubChem CID156576981
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Name3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H29N/c1-3-7-30-26(5-1)27-11-9-23(22-10-12-33-29(18-22)28-6-2-4-8-32(28)35-33)19-31(27)34(30)24-14-20-13-21(16-24)17-25(34)15-20/h1-12,18-21,24-25,35H,13-17H2
InChIKeyZWSWTDVUVSUKIS-UHFFFAOYSA-N
XLogP8.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
CID 164940769
2-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene;3-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164970031
4,4,5,5-tetramethyl-2-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,2-dioxaborolane
CID 164819128
2-(3-dibenzothiophen-2-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 147755440
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
CID 164810223
12-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030894
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537

Frequently Asked Questions

What is the IUPAC name of 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole?
The IUPAC name of 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole (CID 156576981) is 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole.
What is the SMILES notation for 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole?
The canonical SMILES for 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole is c1ccc2c(c1)-c1ccc(-c3ccc4[nH]c5ccccc5c4c3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole?
The InChIKey is ZWSWTDVUVSUKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N/c1-3-7-30-26(5-1)27-11-9-23(22-10-12-33-29(18-22)28-6-2-4-8-32(28)35-33)19-31(27)34(30)24-14-20-13-21(16-24)17-25(34)15-20/h1-12,18-21,24-25,35H,13-17H2.
What are the key properties of 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole?
3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole has a molecular weight of 451.61 g/mol, XLogP of 8.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole is sourced from PubChem (CID 156576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).