4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)

C198H188N6O2 — CID 160594080

IUPAC4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)
SMILESCC.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.Cc1ccc(Nc2ccc(C(C)c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C(C)c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H27N.C33H27N.2C19H16.4C16H13N.C10H12O2.C10H14.4C2H6/c1-22-10-16-27(17-11-22)36-33-21-20-28(30-8-3-4-9-31(30)33)23(2)29-18-14-26-13-12-24-6-5-7-25-15-19-32(29)35(26)34(24)25;1-22-15-17-26(18-16-22)34-32-20-19-27(30-13-7-8-14-31(30)32)23(2)33-28-11-5-3-9-24(28)21-25-10-4-6-12-29(25)33;2*1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;4*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-6-4-9(3)5-7-10;4*1-2/h3-21,23,36H,1-2H3;3-21,23,34H,1-2H3;2*3-12H,1-2H3;4*1-12,17H;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4*1-2H3
InChIKeyRDKADGRWUBKTKN-UHFFFAOYSA-N
MW2683.72 g/mol
LogP58.77
Rot. Bonds21

About 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)

4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) (PubChem CID 160594080) has the molecular formula C198H188N6O2 and a molecular weight of 2683.72 g/mol. Its IUPAC name is 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene).

Molecular Properties

Compound Name4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)
PubChem CID160594080
Molecular FormulaC198H188N6O2
Molecular Weight2683.72 g/mol
Exact Mass2681.48
IUPAC Name4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)
SMILESCC.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.Cc1ccc(Nc2ccc(C(C)c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C(C)c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H27N.C33H27N.2C19H16.4C16H13N.C10H12O2.C10H14.4C2H6/c1-22-10-16-27(17-11-22)36-33-21-20-28(30-8-3-4-9-31(30)33)23(2)29-18-14-26-13-12-24-6-5-7-25-15-19-32(29)35(26)34(24)25;1-22-15-17-26(18-16-22)34-32-20-19-27(30-13-7-8-14-31(30)32)23(2)33-28-11-5-3-9-24(28)21-25-10-4-6-12-29(25)33;2*1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;4*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-6-4-9(3)5-7-10;4*1-2/h3-21,23,36H,1-2H3;3-21,23,34H,1-2H3;2*3-12H,1-2H3;4*1-12,17H;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4*1-2H3
InChIKeyRDKADGRWUBKTKN-UHFFFAOYSA-N
XLogP58.77
TPSA109.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002683.72
LogP ≤ 558.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) with MolForge

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Related Compounds

N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159209397
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
CID 160772436
pentakis(N-benzylaniline);ethane;1-phenyl-4-propan-2-ylbenzene;9-propan-2-ylanthracene;1-propan-2-ylpyrene;4-propan-2-ylpyridine;3-propan-2-ylthiophene
CID 158401943
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
CID 150848719
2-(1-anthracen-9-ylethyl)-4-[3-(1-anthracen-9-ylpropyl)-5-ethyl-4-hydroxyphenyl]sulfanyl-6-methylphenol;4-[3-ethyl-4-hydroxy-5-(1-pyren-1-ylpropyl)phenyl]sulfanyl-2-methyl-6-(1-pyren-1-ylethyl)phenol
CID 158938340
methane;9-propan-2-ylanthracene;1-propan-2-ylpyrene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2-(4-propan-2-ylphenoxy)benzene;1,3,5-trimethyl-2-[3-propan-2-yl-5-(2,4,6-trimethylphenyl)phenyl]benzene
CID 160862958
[4-[3-methyl-6-(1-pyren-1-ylethyl)carbazol-9-yl]phenyl]-phenylmethanone
CID 156686552
N-(4-methylphenyl)-4-(1-thiophen-3-ylethyl)naphthalen-1-amine
CID 90348309
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
anthracene;4-methylbenzoic acid
CID 175030135

Frequently Asked Questions

What is the IUPAC name of 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)?
The IUPAC name of 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) (CID 160594080) is 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene).
What is the SMILES notation for 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)?
The canonical SMILES for 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) is CC.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccc3cccc4ccc1c2c34.Cc1ccc(C(C)C)cc1.Cc1ccc(Nc2ccc(C(C)c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C(C)c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)?
The InChIKey is RDKADGRWUBKTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N.C33H27N.2C19H16.4C16H13N.C10H12O2.C10H14.4C2H6/c1-22-10-16-27(17-11-22)36-33-21-20-28(30-8-3-4-9-31(30)33)23(2)29-18-14-26-13-12-24-6-5-7-25-15-19-32(29)35(26)34(24)25;1-22-15-17-26(18-16-22)34-32-20-19-27(30-13-7-8-14-31(30)32)23(2)33-28-11-5-3-9-24(28)21-25-10-4-6-12-29(25)33;2*1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;4*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-6-4-9(3)5-7-10;4*1-2/h3-21,23,36H,1-2H3;3-21,23,34H,1-2H3;2*3-12H,1-2H3;4*1-12,17H;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4*1-2H3.
What are the key properties of 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)?
4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) has a molecular weight of 2683.72 g/mol, XLogP of 58.77, 21 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene) is sourced from PubChem (CID 160594080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).