6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

C128H86F6N4 — CID 161079334

IUPAC6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3cccc4ccccc34)c3ccc4ccc5c(N(c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)c6cccc7ccccc67)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H]
InChIInChI=1S/C66H45F3N2.C62H41F3N2/c1-44-42-53(47-18-10-4-11-19-47)30-38-60(44)70(55-32-22-49(23-33-55)45-14-6-2-7-15-45)61-39-28-51-27-37-58-62(40-29-52-26-36-57(61)64(51)65(52)58)71(56-34-24-50(25-35-56)46-16-8-3-9-17-46)63-41-31-54(43-59(63)66(67,68)69)48-20-12-5-13-21-48;1-40-38-47(41-14-4-2-5-15-41)30-34-54(40)66(55-24-12-20-43-18-8-10-22-49(43)55)57-35-28-45-27-33-52-58(36-29-46-26-32-51(57)60(45)61(46)52)67(56-25-13-21-44-19-9-11-23-50(44)56)59-37-31-48(39-53(59)62(63,64)65)42-16-6-3-7-17-42/h2-43H,1H3;2-39H,1H3/i4D,5D,10D,11D,12D,13D,18D,19D,20D,21D;2D,3D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyUFRVVIRMDOKDOH-YOHLYUSZSA-N
MW1814.23 g/mol
LogP38.01
Rot. Bonds18

About 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (PubChem CID 161079334) has the molecular formula C128H86F6N4 and a molecular weight of 1814.23 g/mol. Its IUPAC name is 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
PubChem CID161079334
Molecular FormulaC128H86F6N4
Molecular Weight1814.23 g/mol
Exact Mass1812.80
IUPAC Name6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3cccc4ccccc34)c3ccc4ccc5c(N(c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)c6cccc7ccccc67)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H]
InChIInChI=1S/C66H45F3N2.C62H41F3N2/c1-44-42-53(47-18-10-4-11-19-47)30-38-60(44)70(55-32-22-49(23-33-55)45-14-6-2-7-15-45)61-39-28-51-27-37-58-62(40-29-52-26-36-57(61)64(51)65(52)58)71(56-34-24-50(25-35-56)46-16-8-3-9-17-46)63-41-31-54(43-59(63)66(67,68)69)48-20-12-5-13-21-48;1-40-38-47(41-14-4-2-5-15-41)30-34-54(40)66(55-24-12-20-43-18-8-10-22-49(43)55)57-35-28-45-27-33-52-58(36-29-46-26-32-51(57)60(45)61(46)52)67(56-25-13-21-44-19-9-11-23-50(44)56)59-37-31-48(39-53(59)62(63,64)65)42-16-6-3-7-17-42/h2-43H,1H3;2-39H,1H3/i4D,5D,10D,11D,12D,13D,18D,19D,20D,21D;2D,3D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyUFRVVIRMDOKDOH-YOHLYUSZSA-N
XLogP38.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001814.23
LogP ≤ 538.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 59222050
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
1-N,6-N-bis[3,5-bis(2,6-dimethylphenyl)-2-fluorophenyl]-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59357978
N,4-diphenyl-N-[4-[2-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[3-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-[4-[4-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylaniline
CID 158064872
6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 67816340
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410819
N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503170
2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine
CID 58251500
N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (CID 161079334) is 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3cccc4ccccc34)c3ccc4ccc5c(N(c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6C(F)(F)F)c6cccc7ccccc67)ccc6ccc3c4c65)c(C)c2)c([2H])c1[2H].
What is the InChIKey of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The InChIKey is UFRVVIRMDOKDOH-YOHLYUSZSA-N. The full InChI is InChI=1S/C66H45F3N2.C62H41F3N2/c1-44-42-53(47-18-10-4-11-19-47)30-38-60(44)70(55-32-22-49(23-33-55)45-14-6-2-7-15-45)61-39-28-51-27-37-58-62(40-29-52-26-36-57(61)64(51)65(52)58)71(56-34-24-50(25-35-56)46-16-8-3-9-17-46)63-41-31-54(43-59(63)66(67,68)69)48-20-12-5-13-21-48;1-40-38-47(41-14-4-2-5-15-41)30-34-54(40)66(55-24-12-20-43-18-8-10-22-49(43)55)57-35-28-45-27-33-52-58(36-29-46-26-32-51(57)60(45)61(46)52)67(56-25-13-21-44-19-9-11-23-50(44)56)59-37-31-48(39-53(59)62(63,64)65)42-16-6-3-7-17-42/h2-43H,1H3;2-39H,1H3/i4D,5D,10D,11D,12D,13D,18D,19D,20D,21D;2D,3D,4D,5D,6D,7D,14D,15D,16D,17D.
What are the key properties of 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine has a molecular weight of 1814.23 g/mol, XLogP of 38.01, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-dinaphthalen-1-yl-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-[2-methyl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-(trifluoromethyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 161079334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).