3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

C152H95N9O3 — CID 159150526

IUPAC3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc32)cc1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc3)ccc2c1
InChIInChI=1S/C57H35N3O.C48H29N3O.C47H31N3O/c1-3-14-40(15-4-1)57(41-16-5-2-6-17-41)50-24-11-9-19-44(50)45-32-30-39(35-51(45)57)38-31-33-52-49(34-38)43-18-7-8-21-48(43)56-59-58-55(60(52)56)37-28-26-36(27-29-37)42-22-13-23-47-46-20-10-12-25-53(46)61-54(42)47;1-2-9-35-28-36(25-20-30(35)8-1)31-16-18-32(19-17-31)37-26-27-44-43(29-37)39-10-3-4-12-42(39)48-50-49-47(51(44)48)34-23-21-33(22-24-34)38-13-7-14-41-40-11-5-6-15-45(40)52-46(38)41;1-47(2)40-16-7-5-11-34(40)35-24-22-31(27-41(35)47)30-23-25-42-39(26-30)33-10-3-4-13-38(33)46-49-48-45(50(42)46)29-20-18-28(19-21-29)32-14-9-15-37-36-12-6-8-17-43(36)51-44(32)37/h1-35H;1-29H;3-27H,1-2H3
InChIKeyKJFNPKFMZYJOMU-UHFFFAOYSA-N
MW2095.49 g/mol
LogP39.30
Rot. Bonds12

About 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 159150526) has the molecular formula C152H95N9O3 and a molecular weight of 2095.49 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
PubChem CID159150526
Molecular FormulaC152H95N9O3
Molecular Weight2095.49 g/mol
Exact Mass2093.76
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc32)cc1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc3)ccc2c1
InChIInChI=1S/C57H35N3O.C48H29N3O.C47H31N3O/c1-3-14-40(15-4-1)57(41-16-5-2-6-17-41)50-24-11-9-19-44(50)45-32-30-39(35-51(45)57)38-31-33-52-49(34-38)43-18-7-8-21-48(43)56-59-58-55(60(52)56)37-28-26-36(27-29-37)42-22-13-23-47-46-20-10-12-25-53(46)61-54(42)47;1-2-9-35-28-36(25-20-30(35)8-1)31-16-18-32(19-17-31)37-26-27-44-43(29-37)39-10-3-4-12-42(39)48-50-49-47(51(44)48)34-23-21-33(22-24-34)38-13-7-14-41-40-11-5-6-15-45(40)52-46(38)41;1-47(2)40-16-7-5-11-34(40)35-24-22-31(27-41(35)47)30-23-25-42-39(26-30)33-10-3-4-13-38(33)46-49-48-45(50(42)46)29-20-18-28(19-21-29)32-14-9-15-37-36-12-6-8-17-43(36)51-44(32)37/h1-35H;1-29H;3-27H,1-2H3
InChIKeyKJFNPKFMZYJOMU-UHFFFAOYSA-N
XLogP39.30
TPSA129.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.49
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine with MolForge

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Related Compounds

7-(9,9-diphenylfluoren-2-yl)-3-(4-iodophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58069032
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165088106
3-(4-dibenzofuran-4-ylphenyl)-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068443
7-bromo-3-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068831
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158241809
9,9-bis(4-methylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-di(dibenzofuran-3-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-(9,9-dimethyl-7-phenylfluoren-2-yl)-N,N-bis(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-[4-[4-(9,9-dimethyl-8-phenylfluoren-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;methane;9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 157248077
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 159150526) is 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc32)cc1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n54)cc3)ccc2c1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The InChIKey is KJFNPKFMZYJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.C48H29N3O.C47H31N3O/c1-3-14-40(15-4-1)57(41-16-5-2-6-17-41)50-24-11-9-19-44(50)45-32-30-39(35-51(45)57)38-31-33-52-49(34-38)43-18-7-8-21-48(43)56-59-58-55(60(52)56)37-28-26-36(27-29-37)42-22-13-23-47-46-20-10-12-25-53(46)61-54(42)47;1-2-9-35-28-36(25-20-30(35)8-1)31-16-18-32(19-17-31)37-26-27-44-43(29-37)39-10-3-4-12-42(39)48-50-49-47(51(44)48)34-23-21-33(22-24-34)38-13-7-14-41-40-11-5-6-15-45(40)52-46(38)41;1-47(2)40-16-7-5-11-34(40)35-24-22-31(27-41(35)47)30-23-25-42-39(26-30)33-10-3-4-13-38(33)46-49-48-45(50(42)46)29-20-18-28(19-21-29)32-14-9-15-37-36-12-6-8-17-43(36)51-44(32)37/h1-35H;1-29H;3-27H,1-2H3.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 2095.49 g/mol, XLogP of 39.30, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 159150526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).