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

C58H44N2 — CID 164810227

IUPAC3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cc2)cc1
InChIInChI=1S/C58H44N2/c1-2-11-38(12-3-1)39-21-25-44(26-22-39)59-52-18-8-5-13-45(52)48-34-40(23-27-54(48)59)41-24-28-55-49(35-41)46-14-6-9-19-53(46)60(55)56-20-10-17-51-57(56)47-15-4-7-16-50(47)58(51)42-30-36-29-37(32-42)33-43(58)31-36/h1-28,34-37,42-43H,29-33H2
InChIKeyROBFHRLELWQJTC-UHFFFAOYSA-N
MW769.00 g/mol
LogP14.94
Rot. Bonds4

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole (PubChem CID 164810227) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
PubChem CID164810227
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cc2)cc1
InChIInChI=1S/C58H44N2/c1-2-11-38(12-3-1)39-21-25-44(26-22-39)59-52-18-8-5-13-45(52)48-34-40(23-27-54(48)59)41-24-28-55-49(35-41)46-14-6-9-19-53(46)60(55)56-20-10-17-51-57(56)47-15-4-7-16-50(47)58(51)42-30-36-29-37(32-42)33-43(58)31-36/h1-28,34-37,42-43H,29-33H2
InChIKeyROBFHRLELWQJTC-UHFFFAOYSA-N
XLogP14.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 164940817
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
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 165008355
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'-[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-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
CID 167004612

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole (CID 164810227) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The InChIKey is ROBFHRLELWQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-2-11-38(12-3-1)39-21-25-44(26-22-39)59-52-18-8-5-13-45(52)48-34-40(23-27-54(48)59)41-24-28-55-49(35-41)46-14-6-9-19-53(46)60(55)56-20-10-17-51-57(56)47-15-4-7-16-50(47)58(51)42-30-36-29-37(32-42)33-43(58)31-36/h1-28,34-37,42-43H,29-33H2.
What are the key properties of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole has a molecular weight of 769.00 g/mol, XLogP of 14.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole is sourced from PubChem (CID 164810227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).