N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine

C179H121N3 — CID 161446065

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc21.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc6ccccc56)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C61H43N.C60H39N.C58H39N/c1-61(2)55-31-17-16-29-48(55)49-35-33-45(38-56(49)61)62(57-32-18-26-40-23-12-13-27-46(40)57)44-34-36-51-54(37-44)47-28-14-15-30-50(47)59-53(42-21-8-4-9-22-42)39-52(41-19-6-3-7-20-41)58(60(51)59)43-24-10-5-11-25-43;1-4-19-41(20-5-1)53-39-54(42-21-6-2-7-22-42)59-51-33-17-15-31-49(51)55-38-45(35-36-52(55)60(59)58(53)43-24-8-3-9-25-43)61(56-34-18-27-40-23-10-13-29-47(40)56)57-37-44-26-11-12-28-46(44)48-30-14-16-32-50(48)57;1-5-18-40(19-6-1)41-32-34-46(35-33-41)59(55-31-17-27-42-24-13-14-28-48(42)55)47-36-37-51-54(38-47)49-29-15-16-30-50(49)57-53(44-22-9-3-10-23-44)39-52(43-20-7-2-8-21-43)56(58(51)57)45-25-11-4-12-26-45/h3-39H,1-2H3;1-39H;1-39H
InChIKeyVZXFAUKXSPDJCP-UHFFFAOYSA-N
MW2313.96 g/mol
LogP50.59
Rot. Bonds19

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 161446065) has the molecular formula C179H121N3 and a molecular weight of 2313.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID161446065
Molecular FormulaC179H121N3
Molecular Weight2313.96 g/mol
Exact Mass2311.96
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc21.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc6ccccc56)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C61H43N.C60H39N.C58H39N/c1-61(2)55-31-17-16-29-48(55)49-35-33-45(38-56(49)61)62(57-32-18-26-40-23-12-13-27-46(40)57)44-34-36-51-54(37-44)47-28-14-15-30-50(47)59-53(42-21-8-4-9-22-42)39-52(41-19-6-3-7-20-41)58(60(51)59)43-24-10-5-11-25-43;1-4-19-41(20-5-1)53-39-54(42-21-6-2-7-22-42)59-51-33-17-15-31-49(51)55-38-45(35-36-52(55)60(59)58(53)43-24-8-3-9-25-43)61(56-34-18-27-40-23-10-13-29-47(40)56)57-37-44-26-11-12-28-46(44)48-30-14-16-32-50(48)57;1-5-18-40(19-6-1)41-32-34-46(35-33-41)59(55-31-17-27-42-24-13-14-28-48(42)55)47-36-37-51-54(38-47)49-29-15-16-30-50(49)57-53(44-22-9-3-10-23-44)39-52(43-20-7-2-8-21-43)56(58(51)57)45-25-11-4-12-26-45/h3-39H,1-2H3;1-39H;1-39H
InChIKeyVZXFAUKXSPDJCP-UHFFFAOYSA-N
XLogP50.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002313.96
LogP ≤ 550.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthren-3-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenanthren-3-amine;methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N,10-diphenylphenanthren-3-amine
CID 158051801
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,9-dimethyl-N,7-dinaphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]phenanthren-9-amine;9,9-dimethyl-7-naphthalen-1-yl-N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159564586

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine (CID 161446065) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc21.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc6ccccc56)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is VZXFAUKXSPDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N.C60H39N.C58H39N/c1-61(2)55-31-17-16-29-48(55)49-35-33-45(38-56(49)61)62(57-32-18-26-40-23-12-13-27-46(40)57)44-34-36-51-54(37-44)47-28-14-15-30-50(47)59-53(42-21-8-4-9-22-42)39-52(41-19-6-3-7-20-41)58(60(51)59)43-24-10-5-11-25-43;1-4-19-41(20-5-1)53-39-54(42-21-6-2-7-22-42)59-51-33-17-15-31-49(51)55-38-45(35-36-52(55)60(59)58(53)43-24-8-3-9-25-43)61(56-34-18-27-40-23-10-13-29-47(40)56)57-37-44-26-11-12-28-46(44)48-30-14-16-32-50(48)57;1-5-18-40(19-6-1)41-32-34-46(35-33-41)59(55-31-17-27-42-24-13-14-28-48(42)55)47-36-37-51-54(38-47)49-29-15-16-30-50(49)57-53(44-22-9-3-10-23-44)39-52(43-20-7-2-8-21-43)56(58(51)57)45-25-11-4-12-26-45/h3-39H,1-2H3;1-39H;1-39H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 2313.96 g/mol, XLogP of 50.59, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 161446065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).