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

C108H83N — CID 165027791

IUPAC2'-[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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c(-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H41N.C54H42/c1-2-12-39(13-3-1)55-50-21-11-9-15-42(50)47-31-35(23-25-51(47)55)52-43-16-4-6-18-45(43)53(46-19-7-5-17-44(46)52)36-22-24-41-40-14-8-10-20-48(40)54(49(41)32-36)37-27-33-26-34(29-37)30-38(54)28-33;1-3-13-36(14-4-1)38-23-26-48(49(32-38)37-15-5-2-6-16-37)53-46-20-9-7-18-44(46)52(45-19-8-10-21-47(45)53)39-24-25-43-42-17-11-12-22-50(42)54(51(43)33-39)40-28-34-27-35(30-40)31-41(54)29-34/h1-25,31-34,37-38H,26-30H2;1-26,32-35,40-41H,27-31H2
InChIKeyMDYAOOFGIYSAKS-UHFFFAOYSA-N
MW1394.86 g/mol
LogP28.53
Rot. Bonds7

About 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

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 (PubChem CID 165027791) has the molecular formula C108H83N and a molecular weight of 1394.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2'-[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
PubChem CID165027791
Molecular FormulaC108H83N
Molecular Weight1394.86 g/mol
Exact Mass1393.65
IUPAC Name2'-[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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c(-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1
InChIInChI=1S/C54H41N.C54H42/c1-2-12-39(13-3-1)55-50-21-11-9-15-42(50)47-31-35(23-25-51(47)55)52-43-16-4-6-18-45(43)53(46-19-7-5-17-44(46)52)36-22-24-41-40-14-8-10-20-48(40)54(49(41)32-36)37-27-33-26-34(29-37)30-38(54)28-33;1-3-13-36(14-4-1)38-23-26-48(49(32-38)37-15-5-2-6-16-37)53-46-20-9-7-18-44(46)52(45-19-8-10-21-47(45)53)39-24-25-43-42-17-11-12-22-50(42)54(51(43)33-39)40-28-34-27-35(30-40)31-41(54)29-34/h1-25,31-34,37-38H,26-30H2;1-26,32-35,40-41H,27-31H2
InChIKeyMDYAOOFGIYSAKS-UHFFFAOYSA-N
XLogP28.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.86
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
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-[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-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
2-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164819295
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(3-phenylphenyl)carbazol-4-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164952773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c(-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c5ccccc45)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is MDYAOOFGIYSAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N.C54H42/c1-2-12-39(13-3-1)55-50-21-11-9-15-42(50)47-31-35(23-25-51(47)55)52-43-16-4-6-18-45(43)53(46-19-7-5-17-44(46)52)36-22-24-41-40-14-8-10-20-48(40)54(49(41)32-36)37-27-33-26-34(29-37)30-38(54)28-33;1-3-13-36(14-4-1)38-23-26-48(49(32-38)37-15-5-2-6-16-37)53-46-20-9-7-18-44(46)52(45-19-8-10-21-47(45)53)39-24-25-43-42-17-11-12-22-50(42)54(51(43)33-39)40-28-34-27-35(30-40)31-41(54)29-34/h1-25,31-34,37-38H,26-30H2;1-26,32-35,40-41H,27-31H2.
What are the key properties of 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?
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 has a molecular weight of 1394.86 g/mol, XLogP of 28.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165027791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).