10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine

C163H114N14O3S2 — CID 147650567

About 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine

10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine (PubChem CID 147650567) has the molecular formula C163H114N14O3S2 and a molecular weight of 2380.93 g/mol. Its IUPAC name is 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine
• PubChem CID: 147650567
• Molecular Formula: C163H114N14O3S2
• Molecular Weight: 2380.93 g/mol
• Exact Mass: 2378.86
• IUPAC Name: 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine
• SMILES: CC1(C)c2ccccc2N(c2nc(N3c4ccccc4C(C)(C)c4cc(-c5ccc(-c6nnc(-c7ccc8cc(-c9c(N%10c%11ccccc%11Oc%11ccccc%11%10)c(N%10c%11ccccc%11Sc%11ccccc%11%10)nc(N%10c%11ccccc%11Oc%11ccccc%11%10)c9N9c%10ccccc%10Sc%10ccccc%109)ccc8c7)o6)cc5)ccc43)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)c2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21
• InChI: InChI=1S/C163H114N14O3S2/c1-160(2)113-52-16-23-59-121(113)170(122-60-24-17-53-114(122)160)149-145(100-84-86-101(87-85-100)153-164-147-111-50-14-12-48-109(111)110-49-13-15-51-112(110)148(147)169(153)108-46-10-9-11-47-108)150(171-123-61-25-18-54-115(123)161(3,4)116-55-19-26-62-124(116)171)155(165-154(149)174-125-63-27-20-56-117(125)162(5,6)118-57-21-28-64-126(118)174)175-127-65-29-22-58-119(127)163(7,8)120-98-105(94-95-128(120)175)99-82-88-102(89-83-99)158-167-168-159(180-158)107-93-91-103-96-106(92-90-104(103)97-107)146-151(172-129-66-30-38-74-137(129)178-138-75-39-31-67-130(138)172)157(177-135-72-36-44-80-143(135)182-144-81-45-37-73-136(144)177)166-156(176-131-68-32-40-76-139(131)179-140-77-41-33-69-132(140)176)152(146)173-133-70-34-42-78-141(133)181-142-79-43-35-71-134(142)173/h9-98H,1-8H3
• InChIKey: GJKIJOXDXIRONK-UHFFFAOYSA-N
• XLogP: 45.12
• TPSA: 126.90 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.93
LogP ≤ 5	45.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine?

The IUPAC name of 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine (CID 147650567) is 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine.

What is the SMILES notation for 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine?

The canonical SMILES for 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine is CC1(C)c2ccccc2N(c2nc(N3c4ccccc4C(C)(C)c4cc(-c5ccc(-c6nnc(-c7ccc8cc(-c9c(N%10c%11ccccc%11Oc%11ccccc%11%10)c(N%10c%11ccccc%11Sc%11ccccc%11%10)nc(N%10c%11ccccc%11Oc%11ccccc%11%10)c9N9c%10ccccc%10Sc%10ccccc%109)ccc8c7)o6)cc5)ccc43)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)c2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.

What is the InChIKey of 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine?

The InChIKey is GJKIJOXDXIRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H114N14O3S2/c1-160(2)113-52-16-23-59-121(113)170(122-60-24-17-53-114(122)160)149-145(100-84-86-101(87-85-100)153-164-147-111-50-14-12-48-109(111)110-49-13-15-51-112(110)148(147)169(153)108-46-10-9-11-47-108)150(171-123-61-25-18-54-115(123)161(3,4)116-55-19-26-62-124(116)171)155(165-154(149)174-125-63-27-20-56-117(125)162(5,6)118-57-21-28-64-126(118)174)175-127-65-29-22-58-119(127)163(7,8)120-98-105(94-95-128(120)175)99-82-88-102(89-83-99)158-167-168-159(180-158)107-93-91-103-96-106(92-90-104(103)97-107)146-151(172-129-66-30-38-74-137(129)178-138-75-39-31-67-130(138)172)157(177-135-72-36-44-80-143(135)182-144-81-45-37-73-136(144)177)166-156(176-131-68-32-40-76-139(131)179-140-77-41-33-69-132(140)176)152(146)173-133-70-34-42-78-141(133)181-142-79-43-35-71-134(142)173/h9-98H,1-8H3.

What are the key properties of 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine?

10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine has a molecular weight of 2380.93 g/mol, XLogP of 45.12, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine is sourced from PubChem (CID 147650567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).