6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C171H112N6 — CID 161421085

IUPAC6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc(-c7ccc8c9ccccc9c9ccccc9c8c7)ccc6n(-c6ccc7ccccc7c6)c5c4)ccc32)cc1
InChIInChI=1S/C58H36N2.C57H40N2.C56H36N2/c1-2-14-43(15-3-1)59-55-21-11-10-20-50(55)53-35-41(26-30-56(53)59)42-24-29-51-54-34-40(25-31-57(54)60(58(51)36-42)44-27-22-37-12-4-5-13-38(37)32-44)39-23-28-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)52(49)33-39;1-57(2)51-19-11-9-17-45(51)46-29-23-41(35-52(46)57)39-25-32-55-50(33-39)48-30-24-42(36-56(48)59(55)44-27-21-38(22-28-44)37-13-5-3-6-14-37)40-26-31-54-49(34-40)47-18-10-12-20-53(47)58(54)43-15-7-4-8-16-43;1-3-13-37(14-4-1)38-23-28-44(29-24-38)58-55-32-27-42(50-34-41-15-7-8-18-45(41)46-19-9-10-20-47(46)50)35-52(55)49-30-25-40(36-56(49)58)39-26-31-54-51(33-39)48-21-11-12-22-53(48)57(54)43-16-5-2-6-17-43/h1-36H;3-36H,1-2H3;1-36H
InChIKeyVWSYLLWLIZPSBB-UHFFFAOYSA-N
MW2250.82 g/mol
LogP46.20
Rot. Bonds14

About 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 161421085) has the molecular formula C171H112N6 and a molecular weight of 2250.82 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID161421085
Molecular FormulaC171H112N6
Molecular Weight2250.82 g/mol
Exact Mass2248.89
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc(-c7ccc8c9ccccc9c9ccccc9c8c7)ccc6n(-c6ccc7ccccc7c6)c5c4)ccc32)cc1
InChIInChI=1S/C58H36N2.C57H40N2.C56H36N2/c1-2-14-43(15-3-1)59-55-21-11-10-20-50(55)53-35-41(26-30-56(53)59)42-24-29-51-54-34-40(25-31-57(54)60(58(51)36-42)44-27-22-37-12-4-5-13-38(37)32-44)39-23-28-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)52(49)33-39;1-57(2)51-19-11-9-17-45(51)46-29-23-41(35-52(46)57)39-25-32-55-50(33-39)48-30-24-42(36-56(48)59(55)44-27-21-38(22-28-44)37-13-5-3-6-14-37)40-26-31-54-49(34-40)47-18-10-12-20-53(47)58(54)43-15-7-4-8-16-43;1-3-13-37(14-4-1)38-23-28-44(29-24-38)58-55-32-27-42(50-34-41-15-7-8-18-45(41)46-19-9-10-20-47(46)50)35-52(55)49-30-25-40(36-56(49)58)39-26-31-54-51(33-39)48-21-11-12-22-53(48)57(54)43-16-5-2-6-17-43/h1-36H;3-36H,1-2H3;1-36H
InChIKeyVWSYLLWLIZPSBB-UHFFFAOYSA-N
XLogP46.20
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.82
LogP ≤ 546.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 161421085) is 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3n4-c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc(-c7ccc8c9ccccc9c9ccccc9c8c7)ccc6n(-c6ccc7ccccc7c6)c5c4)ccc32)cc1.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is VWSYLLWLIZPSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2.C57H40N2.C56H36N2/c1-2-14-43(15-3-1)59-55-21-11-10-20-50(55)53-35-41(26-30-56(53)59)42-24-29-51-54-34-40(25-31-57(54)60(58(51)36-42)44-27-22-37-12-4-5-13-38(37)32-44)39-23-28-49-47-18-7-6-16-45(47)46-17-8-9-19-48(46)52(49)33-39;1-57(2)51-19-11-9-17-45(51)46-29-23-41(35-52(46)57)39-25-32-55-50(33-39)48-30-24-42(36-56(48)59(55)44-27-21-38(22-28-44)37-13-5-3-6-14-37)40-26-31-54-49(34-40)47-18-10-12-20-53(47)58(54)43-15-7-4-8-16-43;1-3-13-37(14-4-1)38-23-28-44(29-24-38)58-55-32-27-42(50-34-41-15-7-8-18-45(41)46-19-9-10-20-47(46)50)35-52(55)49-30-25-40(36-56(49)58)39-26-31-54-51(33-39)48-21-11-12-22-53(48)57(54)43-16-5-2-6-17-43/h1-36H;3-36H,1-2H3;1-36H.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 2250.82 g/mol, XLogP of 46.20, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 161421085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).