N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine

C148H104N4O2 — CID 160705576

IUPACN-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.Cc1cc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2ccc3c4ccccc4c4ccccc4c3c2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C
InChIInChI=1S/C75H54N2O.C73H50N2O/c1-47-42-52(33-38-56(47)57-39-34-53(43-48(57)2)77(51-20-6-5-7-21-51)72-30-16-19-49-18-8-9-22-58(49)72)76(54-35-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)69(64)45-54)55-36-41-66-65-37-32-50(44-70(65)75(3,4)71(66)46-55)59-28-17-29-68-67-27-14-15-31-73(67)78-74(59)68;1-73(2)68-44-50(57-26-15-27-66-65-25-12-13-29-71(65)76-72(57)66)34-41-63(68)64-43-40-55(46-69(64)73)74(54-39-42-62-60-23-9-8-21-58(60)59-22-10-11-24-61(59)67(62)45-54)52-35-30-47(31-36-52)48-32-37-53(38-33-48)75(51-18-4-3-5-19-51)70-28-14-17-49-16-6-7-20-56(49)70/h5-46H,1-4H3;3-46H,1-2H3
InChIKeyRREHJYKJCSFRBI-UHFFFAOYSA-N
MW1970.49 g/mol
LogP42.17
Rot. Bonds16

About N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine

N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine (PubChem CID 160705576) has the molecular formula C148H104N4O2 and a molecular weight of 1970.49 g/mol. Its IUPAC name is N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
PubChem CID160705576
Molecular FormulaC148H104N4O2
Molecular Weight1970.49 g/mol
Exact Mass1968.82
IUPAC NameN-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.Cc1cc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2ccc3c4ccccc4c4ccccc4c3c2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C
InChIInChI=1S/C75H54N2O.C73H50N2O/c1-47-42-52(33-38-56(47)57-39-34-53(43-48(57)2)77(51-20-6-5-7-21-51)72-30-16-19-49-18-8-9-22-58(49)72)76(54-35-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)69(64)45-54)55-36-41-66-65-37-32-50(44-70(65)75(3,4)71(66)46-55)59-28-17-29-68-67-27-14-15-31-73(67)78-74(59)68;1-73(2)68-44-50(57-26-15-27-66-65-25-12-13-29-71(65)76-72(57)66)34-41-63(68)64-43-40-55(46-69(64)73)74(54-39-42-62-60-23-9-8-21-58(60)59-22-10-11-24-61(59)67(62)45-54)52-35-30-47(31-36-52)48-32-37-53(38-33-48)75(51-18-4-3-5-19-51)70-28-14-17-49-16-6-7-20-56(49)70/h5-46H,1-4H3;3-46H,1-2H3
InChIKeyRREHJYKJCSFRBI-UHFFFAOYSA-N
XLogP42.17
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.49
LogP ≤ 542.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine with MolForge

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Related Compounds

2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine
CID 157096847
N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 157488442
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367
7-dibenzofuran-4-yl-N-[4-[3-[3-[4-[(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 88848887
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321641
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 158377953

Frequently Asked Questions

What is the IUPAC name of N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine?
The IUPAC name of N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine (CID 160705576) is N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine.
What is the SMILES notation for N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine?
The canonical SMILES for N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.Cc1cc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)c2ccc3c4ccccc4c4ccccc4c3c2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine?
The InChIKey is RREHJYKJCSFRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N2O.C73H50N2O/c1-47-42-52(33-38-56(47)57-39-34-53(43-48(57)2)77(51-20-6-5-7-21-51)72-30-16-19-49-18-8-9-22-58(49)72)76(54-35-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)69(64)45-54)55-36-41-66-65-37-32-50(44-70(65)75(3,4)71(66)46-55)59-28-17-29-68-67-27-14-15-31-73(67)78-74(59)68;1-73(2)68-44-50(57-26-15-27-66-65-25-12-13-29-71(65)76-72(57)66)34-41-63(68)64-43-40-55(46-69(64)73)74(54-39-42-62-60-23-9-8-21-58(60)59-22-10-11-24-61(59)67(62)45-54)52-35-30-47(31-36-52)48-32-37-53(38-33-48)75(51-18-4-3-5-19-51)70-28-14-17-49-16-6-7-20-56(49)70/h5-46H,1-4H3;3-46H,1-2H3.
What are the key properties of N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine?
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine has a molecular weight of 1970.49 g/mol, XLogP of 42.17, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 160705576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).