3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine

C104H66N12O2S2 — CID 146657087

IUPAC3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1cc(-c2ccnc(N3c4ccccc4Cc4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cc(-c6ccnc(N7c8ccccc8Sc8cc(-c9ccc%10c(c9)Oc9ccccc9N%10c9cc(-c%10ccnc(N%11c%12ccccc%12Oc%12ccccc%12%11)c%10)ccn9)ccc87)c6)ccn5)ccc43)c2)ccn1
InChIInChI=1S/C104H66N12O2S2/c1-4-20-79-75(17-1)54-76-18-2-5-21-80(76)111(79)99-59-69(41-47-105-99)70-42-48-106-100(60-70)112-81-22-6-3-19-77(81)55-78-53-65(33-37-82(78)112)67-35-39-89-97(57-67)119-95-31-15-10-26-87(95)115(89)103-63-73(45-51-109-103)74-46-52-110-104(64-74)116-88-27-11-16-32-96(88)120-98-58-68(36-40-90(98)116)66-34-38-86-94(56-66)118-93-30-14-9-25-85(93)114(86)102-62-72(44-50-108-102)71-43-49-107-101(61-71)113-83-23-7-12-28-91(83)117-92-29-13-8-24-84(92)113/h1-53,56-64H,54-55H2
InChIKeyHDKKWCYQSAKEBS-UHFFFAOYSA-N
MW1579.89 g/mol
LogP28.16
Rot. Bonds11

About 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine

3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine (PubChem CID 146657087) has the molecular formula C104H66N12O2S2 and a molecular weight of 1579.89 g/mol. Its IUPAC name is 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
PubChem CID146657087
Molecular FormulaC104H66N12O2S2
Molecular Weight1579.89 g/mol
Exact Mass1578.49
IUPAC Name3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1cc(-c2ccnc(N3c4ccccc4Cc4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cc(-c6ccnc(N7c8ccccc8Sc8cc(-c9ccc%10c(c9)Oc9ccccc9N%10c9cc(-c%10ccnc(N%11c%12ccccc%12Oc%12ccccc%12%11)c%10)ccn9)ccc87)c6)ccn5)ccc43)c2)ccn1
InChIInChI=1S/C104H66N12O2S2/c1-4-20-79-75(17-1)54-76-18-2-5-21-80(76)111(79)99-59-69(41-47-105-99)70-42-48-106-100(60-70)112-81-22-6-3-19-77(81)55-78-53-65(33-37-82(78)112)67-35-39-89-97(57-67)119-95-31-15-10-26-87(95)115(89)103-63-73(45-51-109-103)74-46-52-110-104(64-74)116-88-27-11-16-32-96(88)120-98-58-68(36-40-90(98)116)66-34-38-86-94(56-66)118-93-30-14-9-25-85(93)114(86)102-62-72(44-50-108-102)71-43-49-107-101(61-71)113-83-23-7-12-28-91(83)117-92-29-13-8-24-84(92)113/h1-53,56-64H,54-55H2
InChIKeyHDKKWCYQSAKEBS-UHFFFAOYSA-N
XLogP28.16
TPSA115.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.89
LogP ≤ 528.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine?
The IUPAC name of 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine (CID 146657087) is 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine is c1ccc2c(c1)Cc1ccccc1N2c1cc(-c2ccnc(N3c4ccccc4Cc4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cc(-c6ccnc(N7c8ccccc8Sc8cc(-c9ccc%10c(c9)Oc9ccccc9N%10c9cc(-c%10ccnc(N%11c%12ccccc%12Oc%12ccccc%12%11)c%10)ccn9)ccc87)c6)ccn5)ccc43)c2)ccn1.
What is the InChIKey of 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine?
The InChIKey is HDKKWCYQSAKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N12O2S2/c1-4-20-79-75(17-1)54-76-18-2-5-21-80(76)111(79)99-59-69(41-47-105-99)70-42-48-106-100(60-70)112-81-22-6-3-19-77(81)55-78-53-65(33-37-82(78)112)67-35-39-89-97(57-67)119-95-31-15-10-26-87(95)115(89)103-63-73(45-51-109-103)74-46-52-110-104(64-74)116-88-27-11-16-32-96(88)120-98-58-68(36-40-90(98)116)66-34-38-86-94(56-66)118-93-30-14-9-25-85(93)114(86)102-62-72(44-50-108-102)71-43-49-107-101(61-71)113-83-23-7-12-28-91(83)117-92-29-13-8-24-84(92)113/h1-53,56-64H,54-55H2.
What are the key properties of 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine?
3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine has a molecular weight of 1579.89 g/mol, XLogP of 28.16, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-[2-[3-[10-[4-[2-(9H-acridin-10-yl)-4-pyridinyl]-2-pyridinyl]-9H-acridin-2-yl]phenothiazin-10-yl]-4-pyridinyl]-2-pyridinyl]phenothiazin-3-yl]-10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 146657087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).