6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile

C144H116F2N6 — CID 158413014

IUPAC6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile
SMILESCc1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc(C)cc4C)cc3-c3ccccc3C)C=C5)c3ccc(F)cc3)c(-c3ccc(C)cc3C)c2)c(C)c1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc(C)cc3C)cc2-c2ccccc2C)C=C4)c2ccc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C73H58N4.C71H58F2N2/c1-45-13-30-60(49(5)39-45)55-22-37-70(66(42-55)62-12-10-9-11-48(62)4)76(58-26-16-52(44-74)17-27-58)68-35-20-53-19-34-65-69(36-21-54-18-33-64(68)72(53)73(54)65)77(59-28-24-57(75-8)25-29-59)71-38-23-56(61-31-14-46(2)40-50(61)6)43-67(71)63-32-15-47(3)41-51(63)7;1-43-12-29-58(47(5)38-43)52-19-36-68(64(41-52)60-11-9-8-10-46(60)4)74(56-25-21-54(72)22-26-56)66-34-17-50-16-33-63-67(35-18-51-15-32-62(66)70(50)71(51)63)75(57-27-23-55(73)24-28-57)69-37-20-53(59-30-13-44(2)39-48(59)6)42-65(69)61-31-14-45(3)40-49(61)7/h9-43,68,73H,1-7H3;8-42,66,71H,1-7H3
InChIKeyGZNSTMFDFOLULI-UHFFFAOYSA-N
MW1968.55 g/mol
LogP37.90
Rot. Bonds20

About 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile

6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile (PubChem CID 158413014) has the molecular formula C144H116F2N6 and a molecular weight of 1968.55 g/mol. Its IUPAC name is 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile
PubChem CID158413014
Molecular FormulaC144H116F2N6
Molecular Weight1968.55 g/mol
Exact Mass1966.92
IUPAC Name6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile
SMILESCc1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc(C)cc4C)cc3-c3ccccc3C)C=C5)c3ccc(F)cc3)c(-c3ccc(C)cc3C)c2)c(C)c1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc(C)cc3C)cc2-c2ccccc2C)C=C4)c2ccc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C73H58N4.C71H58F2N2/c1-45-13-30-60(49(5)39-45)55-22-37-70(66(42-55)62-12-10-9-11-48(62)4)76(58-26-16-52(44-74)17-27-58)68-35-20-53-19-34-65-69(36-21-54-18-33-64(68)72(53)73(54)65)77(59-28-24-57(75-8)25-29-59)71-38-23-56(61-31-14-46(2)40-50(61)6)43-67(71)63-32-15-47(3)41-51(63)7;1-43-12-29-58(47(5)38-43)52-19-36-68(64(41-52)60-11-9-8-10-46(60)4)74(56-25-21-54(72)22-26-56)66-34-17-50-16-33-63-67(35-18-51-15-32-62(66)70(50)71(51)63)75(57-27-23-55(73)24-28-57)69-37-20-53(59-30-13-44(2)39-48(59)6)42-65(69)61-31-14-45(3)40-49(61)7/h9-43,68,73H,1-7H3;8-42,66,71H,1-7H3
InChIKeyGZNSTMFDFOLULI-UHFFFAOYSA-N
XLogP37.90
TPSA41.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001968.55
LogP ≤ 537.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile with MolForge

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Related Compounds

4-[N-[6-(N-[2,4-bis(2-methylphenyl)phenyl]-4-cyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(2-methylphenyl)anilino]benzonitrile
CID 89056823
1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile
CID 158341766
3-[N-[6-[N-(3-cyanophenyl)-2,4-bis(2,4-dimethylphenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(2,4-dimethylphenyl)anilino]benzonitrile
CID 90429430
3-[N-[6-[N-(3-cyanophenyl)-2,4-bis(4-methylphenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(4-methylphenyl)anilino]benzonitrile
CID 89056864
3-(N-[6-(N-(3-isocyanophenyl)-2,4-diphenylanilino)-1,10c-dihydropyren-1-yl]-2,4-diphenylanilino)benzonitrile
CID 59357713
1-N,6-N-bis[2,4-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,10c-dihydropyrene-1,6-diamine
CID 59358050
1-N,6-N-bis[2,4-bis(2-trimethylsilylphenyl)phenyl]-1-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,10c-dihydropyrene-1,6-diamine
CID 59358117
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;2-[N-[6-[2,4-bis(4-tert-butylphenyl)-N-(2-isocyanophenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(4-tert-butylphenyl)anilino]benzonitrile
CID 161448928
1-N,6-N-bis[2,4-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis[2-(trifluoromethyl)phenyl]-1,10c-dihydropyrene-1,6-diamine
CID 59358105
4-[N-[6-(N-[2,4-difluoro-5-(3-methylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-5-(3-methylphenyl)anilino]benzonitrile;4-[N-[6-(N-[2,4-difluoro-5-(4-methylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-5-(4-methylphenyl)anilino]benzonitrile
CID 159799525
4-[(9,9-diphenylfluoren-2-yl)-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-fluoroanilino)naphthalen-1-yl]phenyl]-N-(4-fluorophenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-methylanilino)naphthalen-1-yl]phenyl]-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 158388851
4-[4-(2,5-dimethylphenyl)-N-[6-(N-[4-(2,5-dimethylphenyl)-2,5-difluorophenyl]-4-isocyanoanilino)pyren-1-yl]-2,5-difluoroanilino]benzonitrile
CID 58099514

Frequently Asked Questions

What is the IUPAC name of 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile?
The IUPAC name of 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile (CID 158413014) is 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile.
What is the SMILES notation for 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile?
The canonical SMILES for 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile is Cc1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc(C)cc4C)cc3-c3ccccc3C)C=C5)c3ccc(F)cc3)c(-c3ccc(C)cc3C)c2)c(C)c1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc(C)cc3C)cc2-c2ccccc2C)C=C4)c2ccc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1.
What is the InChIKey of 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile?
The InChIKey is GZNSTMFDFOLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N4.C71H58F2N2/c1-45-13-30-60(49(5)39-45)55-22-37-70(66(42-55)62-12-10-9-11-48(62)4)76(58-26-16-52(44-74)17-27-58)68-35-20-53-19-34-65-69(36-21-54-18-33-64(68)72(53)73(54)65)77(59-28-24-57(75-8)25-29-59)71-38-23-56(61-31-14-46(2)40-50(61)6)43-67(71)63-32-15-47(3)41-51(63)7;1-43-12-29-58(47(5)38-43)52-19-36-68(64(41-52)60-11-9-8-10-46(60)4)74(56-25-21-54(72)22-26-56)66-34-17-50-16-33-63-67(35-18-51-15-32-62(66)70(50)71(51)63)75(57-27-23-55(73)24-28-57)69-37-20-53(59-30-13-44(2)39-48(59)6)42-65(69)61-31-14-45(3)40-49(61)7/h9-43,68,73H,1-7H3;8-42,66,71H,1-7H3.
What are the key properties of 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile?
6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile has a molecular weight of 1968.55 g/mol, XLogP of 37.90, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile is sourced from PubChem (CID 158413014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).