2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole

C57H53N — CID 166037415

IUPAC2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)Cc1cccc(-c3ccccc3-c3ccccc3-n3c4cc(C56CC7CC(CC(C7)C5)C6)ccc4c4ccc(C56CC7CC(CC(C7)C5)C6)cc43)c1-2
InChIInChI=1S/C57H53N/c1-2-10-45-41(8-1)26-42-9-7-14-51(55(42)45)47-12-4-3-11-46(47)48-13-5-6-15-52(48)58-53-27-43(56-29-35-20-36(30-56)22-37(21-35)31-56)16-18-49(53)50-19-17-44(28-54(50)58)57-32-38-23-39(33-57)25-40(24-38)34-57/h1-19,27-28,35-40H,20-26,29-34H2
InChIKeyJAGPTRXYBPRREX-UHFFFAOYSA-N
MW752.06 g/mol
LogP14.62
Rot. Bonds5

About 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole

2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole (PubChem CID 166037415) has the molecular formula C57H53N and a molecular weight of 752.06 g/mol. Its IUPAC name is 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole
PubChem CID166037415
Molecular FormulaC57H53N
Molecular Weight752.06 g/mol
Exact Mass751.42
IUPAC Name2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)Cc1cccc(-c3ccccc3-c3ccccc3-n3c4cc(C56CC7CC(CC(C7)C5)C6)ccc4c4ccc(C56CC7CC(CC(C7)C5)C6)cc43)c1-2
InChIInChI=1S/C57H53N/c1-2-10-45-41(8-1)26-42-9-7-14-51(55(42)45)47-12-4-3-11-46(47)48-13-5-6-15-52(48)58-53-27-43(56-29-35-20-36(30-56)22-37(21-35)31-56)16-18-49(53)50-19-17-44(28-54(50)58)57-32-38-23-39(33-57)25-40(24-38)34-57/h1-19,27-28,35-40H,20-26,29-34H2
InChIKeyJAGPTRXYBPRREX-UHFFFAOYSA-N
XLogP14.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
4-[2-[2-[3-(1-adamantyl)carbazol-9-yl]phenyl]phenyl]-1,2,3,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 166037219
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
12-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(2,3-diphenylphenyl)indolo[2,3-a]carbazole
CID 170291231
22-azanonacyclo[20.11.1.02,21.04,19.05,17.08,16.010,15.023,28.030,34]tetratriaconta-1(33),2(21),3,5(17),6,8(16),10,12,14,19,23,25,27,30(34),31-pentadecaene
CID 167564385
9-[2-[2-(1-adamantyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 171574347
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
1-(1-adamantyl)-9H-fluorene
CID 141137518
2-[5-(1-adamantyl)-2-hydroxyphenyl]isoindole-1,3-dione
CID 168518406
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 169054774
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole (CID 166037415) is 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole is c1ccc2c(c1)Cc1cccc(-c3ccccc3-c3ccccc3-n3c4cc(C56CC7CC(CC(C7)C5)C6)ccc4c4ccc(C56CC7CC(CC(C7)C5)C6)cc43)c1-2.
What is the InChIKey of 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole?
The InChIKey is JAGPTRXYBPRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53N/c1-2-10-45-41(8-1)26-42-9-7-14-51(55(42)45)47-12-4-3-11-46(47)48-13-5-6-15-52(48)58-53-27-43(56-29-35-20-36(30-56)22-37(21-35)31-56)16-18-49(53)50-19-17-44(28-54(50)58)57-32-38-23-39(33-57)25-40(24-38)34-57/h1-19,27-28,35-40H,20-26,29-34H2.
What are the key properties of 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole?
2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole has a molecular weight of 752.06 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(1-adamantyl)-9-[2-[2-(9H-fluoren-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166037415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).