9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole

C54H41N — CID 164819192

IUPAC9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H41N/c1-2-13-38(14-3-1)55-49-24-11-9-15-39(49)46-32-35(25-26-50(46)55)51-40-16-4-6-18-42(40)52(43-19-7-5-17-41(43)51)45-21-12-23-48-53(45)44-20-8-10-22-47(44)54(48)36-28-33-27-34(30-36)31-37(54)29-33/h1-26,32-34,36-37H,27-31H2
InChIKeyIBXZYLPGIQSQNU-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.15
Rot. Bonds3

About 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole

9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole (PubChem CID 164819192) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
PubChem CID164819192
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC Name9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H41N/c1-2-13-38(14-3-1)55-49-24-11-9-15-39(49)46-32-35(25-26-50(46)55)51-40-16-4-6-18-42(40)52(43-19-7-5-17-41(43)51)45-21-12-23-48-53(45)44-20-8-10-22-47(44)54(48)36-28-33-27-34(30-36)31-37(54)29-33/h1-26,32-34,36-37H,27-31H2
InChIKeyIBXZYLPGIQSQNU-UHFFFAOYSA-N
XLogP14.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole 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

3-[10-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)anthracen-9-yl]-9-phenylcarbazole
CID 167165210
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
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-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
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-(3-carbazol-9-ylphenyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-adamantane]
CID 164819333
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
CID 167353778
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
2-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164819295
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole?
The IUPAC name of 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole (CID 164819192) is 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole?
The InChIKey is IBXZYLPGIQSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-2-13-38(14-3-1)55-49-24-11-9-15-39(49)46-32-35(25-26-50(46)55)51-40-16-4-6-18-42(40)52(43-19-7-5-17-41(43)51)45-21-12-23-48-53(45)44-20-8-10-22-47(44)54(48)36-28-33-27-34(30-36)31-37(54)29-33/h1-26,32-34,36-37H,27-31H2.
What are the key properties of 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole?
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole has a molecular weight of 703.93 g/mol, XLogP of 14.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole is sourced from PubChem (CID 164819192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).