N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine

C171H127N9O3S2 — CID 158449090

About N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine

N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine (PubChem CID 158449090) has the molecular formula C171H127N9O3S2 and a molecular weight of 2420.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine
• PubChem CID: 158449090
• Molecular Formula: C171H127N9O3S2
• Molecular Weight: 2420.09 g/mol
• Exact Mass: 2417.95
• IUPAC Name: N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)cc21.COc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(CCCC4)c4ccccc4N5c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1
• InChI: InChI=1S/C60H47N3O2.C57H43N3S.C54H37N3OS/c1-64-51-34-26-43(27-35-51)42-22-29-48(30-23-42)61(50-33-37-57-59(41-50)65-58-21-11-10-20-56(58)63(57)47-16-6-3-7-17-47)49-31-24-44(25-32-49)45-28-36-55-53(40-45)60(38-12-13-39-60)52-18-8-9-19-54(52)62(55)46-14-4-2-5-15-46;1-57(2)49-22-12-13-23-51(49)59(44-18-8-4-9-19-44)52-36-30-43(38-50(52)57)42-28-33-47(34-29-42)58(46-31-26-41(27-32-46)40-16-6-3-7-17-40)48-35-37-54-56(39-48)61-55-25-15-14-24-53(55)60(54)45-20-10-5-11-21-45;1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-35-48-52(37-46)58-51-22-12-10-20-47(51)56(48)42-16-6-2-7-17-42)45-31-26-40(27-32-45)41-28-34-50-54(36-41)59-53-23-13-11-21-49(53)57(50)43-18-8-3-9-19-43/h2-11,14-37,40-41H,12-13,38-39H2,1H3;3-39H,1-2H3;1-37H
• InChIKey: HDTIBWSYXRTFRL-UHFFFAOYSA-N
• XLogP: 49.25
• TPSA: 56.85 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2420.09
LogP ≤ 5	49.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine?

The IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine (CID 158449090) is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine.

What is the SMILES notation for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine?

The canonical SMILES for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)cc21.COc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(CCCC4)c4ccccc4N5c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1.

What is the InChIKey of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine?

The InChIKey is HDTIBWSYXRTFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N3O2.C57H43N3S.C54H37N3OS/c1-64-51-34-26-43(27-35-51)42-22-29-48(30-23-42)61(50-33-37-57-59(41-50)65-58-21-11-10-20-56(58)63(57)47-16-6-3-7-17-47)49-31-24-44(25-32-49)45-28-36-55-53(40-45)60(38-12-13-39-60)52-18-8-9-19-54(52)62(55)46-14-4-2-5-15-46;1-57(2)49-22-12-13-23-51(49)59(44-18-8-4-9-19-44)52-36-30-43(38-50(52)57)42-28-33-47(34-29-42)58(46-31-26-41(27-32-46)40-16-6-3-7-17-40)48-35-37-54-56(39-48)61-55-25-15-14-24-53(55)60(54)45-20-10-5-11-21-45;1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-35-48-52(37-46)58-51-22-12-10-20-47(51)56(48)42-16-6-2-7-17-42)45-31-26-40(27-32-45)41-28-34-50-54(36-41)59-53-23-13-11-21-49(53)57(50)43-18-8-3-9-19-43/h2-11,14-37,40-41H,12-13,38-39H2,1H3;3-39H,1-2H3;1-37H.

What are the key properties of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine?

N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine has a molecular weight of 2420.09 g/mol, XLogP of 49.25, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine is sourced from PubChem (CID 158449090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).