3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene

C197H153N11O6S — CID 158430674

About 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene (PubChem CID 158430674) has the molecular formula C197H153N11O6S and a molecular weight of 2802.53 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene
• PubChem CID: 158430674
• Molecular Formula: C197H153N11O6S
• Molecular Weight: 2802.53 g/mol
• Exact Mass: 2800.17
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene
• SMILES: C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.CCN(CC)c1ccc2c(c1)CC(=O)C(c1nc3ccccc3s1)=C2.CCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CC.CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6C)cc4)cc3)ccc21.O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.[C-]#[N+]/C(C#N)=C1\C=C(C)OC(/C=C/c2ccc(N(C)C)cc2)=C1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1
• InChI: InChI=1S/C43H34N2.C42H28.C28H22.C24H20N2O2.C21H20N2OS.C20H12N2O2.C19H17N3O/c1-3-45-42-11-7-5-9-37(42)39-29-33(21-27-43(39)45)15-13-31-18-24-35(25-19-31)34-22-16-30(17-23-34)12-14-32-20-26-41-38(28-32)36-8-4-6-10-40(36)44(41)2;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-25-19-11-7-5-9-15(19)23(27)17-14-22-18(13-21(17)25)24(28)16-10-6-8-12-20(16)26(22)4-2;1-3-23(4-2)16-10-9-14-12-17(19(24)13-15(14)11-16)21-22-18-7-5-6-8-20(18)25-21;23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24;1-14-11-16(19(13-20)21-2)12-18(23-14)10-7-15-5-8-17(9-6-15)22(3)4/h4-29H,3H2,1-2H3;1-28H;1-22H;5-14H,3-4H2,1-2H3;5-12H,3-4,13H2,1-2H3;1-10H,(H,21,23)(H,22,24);5-12H,1,3-4H3/b14-12+,15-13+;;;;;;10-7+,19-16+
• InChIKey: HBPSFJDSPNNTST-DVHFCHFGSA-N
• XLogP: 47.96
• TPSA: 193.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2802.53
LogP ≤ 5	47.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene (CID 158430674) is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene is C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.CCN(CC)c1ccc2c(c1)CC(=O)C(c1nc3ccccc3s1)=C2.CCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CC.CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6C)cc4)cc3)ccc21.O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.[C-]#[N+]/C(C#N)=C1\C=C(C)OC(/C=C/c2ccc(N(C)C)cc2)=C1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene?

The InChIKey is HBPSFJDSPNNTST-DVHFCHFGSA-N. The full InChI is InChI=1S/C43H34N2.C42H28.C28H22.C24H20N2O2.C21H20N2OS.C20H12N2O2.C19H17N3O/c1-3-45-42-11-7-5-9-37(42)39-29-33(21-27-43(39)45)15-13-31-18-24-35(25-19-31)34-22-16-30(17-23-34)12-14-32-20-26-41-38(28-32)36-8-4-6-10-40(36)44(41)2;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-25-19-11-7-5-9-15(19)23(27)17-14-22-18(13-21(17)25)24(28)16-10-6-8-12-20(16)26(22)4-2;1-3-23(4-2)16-10-9-14-12-17(19(24)13-15(14)11-16)21-22-18-7-5-6-8-20(18)25-21;23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24;1-14-11-16(19(13-20)21-2)12-18(23-14)10-7-15-5-8-17(9-6-15)22(3)4/h4-29H,3H2,1-2H3;1-28H;1-22H;5-14H,3-4H2,1-2H3;5-12H,3-4,13H2,1-2H3;1-10H,(H,21,23)(H,22,24);5-12H,1,3-4H3/b14-12+,15-13+;;;;;;10-7+,19-16+.

What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene?

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene has a molecular weight of 2802.53 g/mol, XLogP of 47.96, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1H-naphthalen-2-one;5,12-diethylquinolino[2,3-b]acridine-7,14-dione;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9-methylcarbazole;5,6,11,12-tetraphenyltetracene;1,4,4-triphenylbuta-1,3-dienylbenzene is sourced from PubChem (CID 158430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).