9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole

C34H28ClN — CID 156578319

IUPAC9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
SMILESClc1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H28ClN/c35-24-9-11-26-27-12-10-25(36-32-7-3-1-5-28(32)29-6-2-4-8-33(29)36)19-31(27)34(30(26)18-24)22-14-20-13-21(16-22)17-23(34)15-20/h1-12,18-23H,13-17H2
InChIKeyCPUSQNHYMPCKCT-UHFFFAOYSA-N
MW486.06 g/mol
LogP9.16
Rot. Bonds1

About 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole

9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole (PubChem CID 156578319) has the molecular formula C34H28ClN and a molecular weight of 486.06 g/mol. Its IUPAC name is 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
PubChem CID156578319
Molecular FormulaC34H28ClN
Molecular Weight486.06 g/mol
Exact Mass485.19
IUPAC Name9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
SMILESClc1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H28ClN/c35-24-9-11-26-27-12-10-25(36-32-7-3-1-5-28(32)29-6-2-4-8-33(29)36)19-31(27)34(30(26)18-24)22-14-20-13-21(16-22)17-23(34)15-20/h1-12,18-23H,13-17H2
InChIKeyCPUSQNHYMPCKCT-UHFFFAOYSA-N
XLogP9.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.06
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 165075254
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
3-chloro-9-(4-pentacyclo[14.3.1.114,18.02,7.08,13]henicosa-2(7),3,5,8,10,12-hexaenyl)carbazole
CID 156571115
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809970
3-(9-isoquinolin-3-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809981
3-fluoro-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809994
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010

Frequently Asked Questions

What is the IUPAC name of 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole?
The IUPAC name of 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole (CID 156578319) is 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole.
What is the SMILES notation for 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole?
The canonical SMILES for 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole is Clc1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole?
The InChIKey is CPUSQNHYMPCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClN/c35-24-9-11-26-27-12-10-25(36-32-7-3-1-5-28(32)29-6-2-4-8-33(29)36)19-31(27)34(30(26)18-24)22-14-20-13-21(16-22)17-23(34)15-20/h1-12,18-23H,13-17H2.
What are the key properties of 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole?
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole has a molecular weight of 486.06 g/mol, XLogP of 9.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole is sourced from PubChem (CID 156578319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).