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

C174H132N6 — CID 164952773

IUPAC3-[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
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1
InChIInChI=1S/3C58H44N2/c1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-54-22-9-6-18-49(54)57-45(19-11-23-56(57)60)40-24-27-55-50(34-40)48-17-5-8-21-53(48)59(55)44-25-26-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-53-21-8-5-17-48(53)49-26-24-40(34-56(49)60)45-19-11-23-55-57(45)50-18-6-9-22-54(50)59(55)44-25-27-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-11-38(12-3-1)39-13-10-14-44(32-39)60-54-19-8-5-16-48(54)50-24-21-41(34-57(50)60)40-22-26-56-51(33-40)49-17-6-9-20-55(49)59(56)45-23-25-47-46-15-4-7-18-52(46)58(53(47)35-45)42-28-36-27-37(30-42)31-43(58)29-36/h2*1-27,33-37,41-42H,28-32H2;1-26,32-37,42-43H,27-31H2
InChIKeyATMRCBHNGHAANH-UHFFFAOYSA-N
MW2307.01 g/mol
LogP44.81
Rot. Bonds12

About 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

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 (PubChem CID 164952773) has the molecular formula C174H132N6 and a molecular weight of 2307.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID164952773
Molecular FormulaC174H132N6
Molecular Weight2307.01 g/mol
Exact Mass2305.05
IUPAC Name3-[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
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1
InChIInChI=1S/3C58H44N2/c1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-54-22-9-6-18-49(54)57-45(19-11-23-56(57)60)40-24-27-55-50(34-40)48-17-5-8-21-53(48)59(55)44-25-26-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-53-21-8-5-17-48(53)49-26-24-40(34-56(49)60)45-19-11-23-55-57(45)50-18-6-9-22-54(50)59(55)44-25-27-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-11-38(12-3-1)39-13-10-14-44(32-39)60-54-19-8-5-16-48(54)50-24-21-41(34-57(50)60)40-22-26-56-51(33-40)49-17-6-9-20-55(49)59(56)45-23-25-47-46-15-4-7-18-52(46)58(53(47)35-45)42-28-36-27-37(30-42)31-43(58)29-36/h2*1-27,33-37,41-42H,28-32H2;1-26,32-37,42-43H,27-31H2
InChIKeyATMRCBHNGHAANH-UHFFFAOYSA-N
XLogP44.81
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002307.01
LogP ≤ 544.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
2-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;bis(2-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole);3-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165104436
2-(9-naphthalen-1-ylcarbazol-2-yl)-9-(6-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-3-yl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-(7-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-2-yl)carbazole
CID 165074114
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
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-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
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-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is ATMRCBHNGHAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H44N2/c1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-54-22-9-6-18-49(54)57-45(19-11-23-56(57)60)40-24-27-55-50(34-40)48-17-5-8-21-53(48)59(55)44-25-26-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-12-38(13-3-1)39-14-10-15-43(33-39)60-53-21-8-5-17-48(53)49-26-24-40(34-56(49)60)45-19-11-23-55-57(45)50-18-6-9-22-54(50)59(55)44-25-27-47-46-16-4-7-20-51(46)58(52(47)35-44)41-29-36-28-37(31-41)32-42(58)30-36;1-2-11-38(12-3-1)39-13-10-14-44(32-39)60-54-19-8-5-16-48(54)50-24-21-41(34-57(50)60)40-22-26-56-51(33-40)49-17-6-9-20-55(49)59(56)45-23-25-47-46-15-4-7-18-52(46)58(53(47)35-45)42-28-36-27-37(30-42)31-43(58)29-36/h2*1-27,33-37,41-42H,28-32H2;1-26,32-37,42-43H,27-31H2.
What are the key properties of 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?
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 has a molecular weight of 2307.01 g/mol, XLogP of 44.81, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164952773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).