N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

C67H43NOS — CID 169296063

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21
InChIInChI=1S/C67H43NOS/c1-67(2)60-24-11-9-20-53(60)54-34-31-44(38-61(54)67)68(43-29-26-40(27-30-43)47-22-13-23-57-56-21-10-12-25-63(56)70-66(47)57)45-32-35-55-59-36-41-14-3-4-15-46(41)64(65(59)69-62(55)39-45)42-28-33-52-50-18-6-5-16-48(50)49-17-7-8-19-51(49)58(52)37-42/h3-39H,1-2H3
InChIKeyPZHCPPFOCKBUEY-UHFFFAOYSA-N
MW910.15 g/mol
LogP19.68
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169296063) has the molecular formula C67H43NOS and a molecular weight of 910.15 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169296063
Molecular FormulaC67H43NOS
Molecular Weight910.15 g/mol
Exact Mass909.31
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21
InChIInChI=1S/C67H43NOS/c1-67(2)60-24-11-9-20-53(60)54-34-31-44(38-61(54)67)68(43-29-26-40(27-30-43)47-22-13-23-57-56-21-10-12-25-63(56)70-66(47)57)45-32-35-55-59-36-41-14-3-4-15-46(41)64(65(59)69-62(55)39-45)42-28-33-52-50-18-6-5-16-48(50)49-17-7-8-19-51(49)58(52)37-42/h3-39H,1-2H3
InChIKeyPZHCPPFOCKBUEY-UHFFFAOYSA-N
XLogP19.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.15
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 165052163
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-amine
CID 169295967
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
5-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167143424
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295434
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295694

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169296063) is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is PZHCPPFOCKBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOS/c1-67(2)60-24-11-9-20-53(60)54-34-31-44(38-61(54)67)68(43-29-26-40(27-30-43)47-22-13-23-57-56-21-10-12-25-63(56)70-66(47)57)45-32-35-55-59-36-41-14-3-4-15-46(41)64(65(59)69-62(55)39-45)42-28-33-52-50-18-6-5-16-48(50)49-17-7-8-19-51(49)58(52)37-42/h3-39H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 910.15 g/mol, XLogP of 19.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169296063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).