2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole

C151H109N5O — CID 165043063

IUPAC2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc43)ccc21.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)c9c8)cc76)cc5)c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C78H55N3.C73H54N2O/c1-2-12-60-49(11-1)21-22-54-42-59(31-36-61(54)60)81-74-20-10-6-16-66(74)69-35-26-53(46-77(69)81)52-25-34-68-65-15-5-9-19-73(65)80(76(68)45-52)58-29-27-57(28-30-58)79-72-18-8-4-14-64(72)67-33-24-51(44-75(67)79)50-23-32-63-62-13-3-7-17-70(62)78(71(63)43-50)55-38-47-37-48(40-55)41-56(78)39-47;1-72(2)62-28-22-44(45-19-25-53-52-11-3-7-15-64(52)73(65(53)37-45)48-32-42-31-43(34-48)35-49(73)33-42)36-59(62)60-40-50(23-29-63(60)72)74-66-16-8-4-12-54(66)56-26-20-46(38-68(56)74)47-21-27-57-55-13-5-9-17-67(55)75(69(57)39-47)51-24-30-71-61(41-51)58-14-6-10-18-70(58)76-71/h1-36,42-48,55-56H,37-41H2;3-30,36-43,48-49H,31-35H2,1-2H3
InChIKeyOLJAHZBJVSDKDT-UHFFFAOYSA-N
MW2009.57 g/mol
LogP39.48
Rot. Bonds9

About 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole

2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole (PubChem CID 165043063) has the molecular formula C151H109N5O and a molecular weight of 2009.57 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
PubChem CID165043063
Molecular FormulaC151H109N5O
Molecular Weight2009.57 g/mol
Exact Mass2007.86
IUPAC Name2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc43)ccc21.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)c9c8)cc76)cc5)c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C78H55N3.C73H54N2O/c1-2-12-60-49(11-1)21-22-54-42-59(31-36-61(54)60)81-74-20-10-6-16-66(74)69-35-26-53(46-77(69)81)52-25-34-68-65-15-5-9-19-73(65)80(76(68)45-52)58-29-27-57(28-30-58)79-72-18-8-4-14-64(72)67-33-24-51(44-75(67)79)50-23-32-63-62-13-3-7-17-70(62)78(71(63)43-50)55-38-47-37-48(40-55)41-56(78)39-47;1-72(2)62-28-22-44(45-19-25-53-52-11-3-7-15-64(52)73(65(53)37-45)48-32-42-31-43(34-48)35-49(73)33-42)36-59(62)60-40-50(23-29-63(60)72)74-66-16-8-4-12-54(66)56-26-20-46(38-68(56)74)47-21-27-57-55-13-5-9-17-67(55)75(69(57)39-47)51-24-30-71-61(41-51)58-14-6-10-18-70(58)76-71/h1-36,42-48,55-56H,37-41H2;3-30,36-43,48-49H,31-35H2,1-2H3
InChIKeyOLJAHZBJVSDKDT-UHFFFAOYSA-N
XLogP39.48
TPSA37.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002009.57
LogP ≤ 539.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole with MolForge

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Related Compounds

2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165110729
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
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 156561488
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
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-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164
1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;1-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;1-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 165073836
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
2-[3-(9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-d]pyrimidine;2-[3-(9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 164958258
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole (CID 165043063) is 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole is CC1(C)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc43)ccc21.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(ccc%12ccccc%12%11)c%10)c9c8)cc76)cc5)c4c3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is OLJAHZBJVSDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N3.C73H54N2O/c1-2-12-60-49(11-1)21-22-54-42-59(31-36-61(54)60)81-74-20-10-6-16-66(74)69-35-26-53(46-77(69)81)52-25-34-68-65-15-5-9-19-73(65)80(76(68)45-52)58-29-27-57(28-30-58)79-72-18-8-4-14-64(72)67-33-24-51(44-75(67)79)50-23-32-63-62-13-3-7-17-70(62)78(71(63)43-50)55-38-47-37-48(40-55)41-56(78)39-47;1-72(2)62-28-22-44(45-19-25-53-52-11-3-7-15-64(52)73(65(53)37-45)48-32-42-31-43(34-48)35-49(73)33-42)36-59(62)60-40-50(23-29-63(60)72)74-66-16-8-4-12-54(66)56-26-20-46(38-68(56)74)47-21-27-57-55-13-5-9-17-67(55)75(69(57)39-47)51-24-30-71-61(41-51)58-14-6-10-18-70(58)76-71/h1-36,42-48,55-56H,37-41H2;3-30,36-43,48-49H,31-35H2,1-2H3.
What are the key properties of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole?
2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 2009.57 g/mol, XLogP of 39.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 165043063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).