9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole

C49H41N — CID 164940817

IUPAC9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cccc21
InChIInChI=1S/C49H41N/c1-48(2)40-13-6-4-12-37(40)47-43(48)15-9-17-46(47)50-44-16-8-5-11-36(44)39-28-32(19-21-45(39)50)31-18-20-42-38(27-31)35-10-3-7-14-41(35)49(42)33-23-29-22-30(25-33)26-34(49)24-29/h3-21,27-30,33-34H,22-26H2,1-2H3
InChIKeyYSLJXHQOOBSKBX-UHFFFAOYSA-N
MW643.87 g/mol
LogP12.48
Rot. Bonds2

About 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole

9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole (PubChem CID 164940817) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
PubChem CID164940817
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cccc21
InChIInChI=1S/C49H41N/c1-48(2)40-13-6-4-12-37(40)47-43(48)15-9-17-46(47)50-44-16-8-5-11-36(44)39-28-32(19-21-45(39)50)31-18-20-42-38(27-31)35-10-3-7-14-41(35)49(42)33-23-29-22-30(25-33)26-34(49)24-29/h3-21,27-30,33-34H,22-26H2,1-2H3
InChIKeyYSLJXHQOOBSKBX-UHFFFAOYSA-N
XLogP12.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
CID 163938551
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 156561672
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
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
9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156577225
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
9-spiro[adamantane-2,9'-fluorene]-4'-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 164810145
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole (CID 164940817) is 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
The InChIKey is YSLJXHQOOBSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-48(2)40-13-6-4-12-37(40)47-43(48)15-9-17-46(47)50-44-16-8-5-11-36(44)39-28-32(19-21-45(39)50)31-18-20-42-38(27-31)35-10-3-7-14-41(35)49(42)33-23-29-22-30(25-33)26-34(49)24-29/h3-21,27-30,33-34H,22-26H2,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole?
9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole has a molecular weight of 643.87 g/mol, XLogP of 12.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole is sourced from PubChem (CID 164940817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).