4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])

C200H122N16OS3 — CID 167673587

About 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])

4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]) (PubChem CID 167673587) has the molecular formula C200H122N16OS3 and a molecular weight of 2861.49 g/mol. Its IUPAC name is 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]).

Molecular Properties

• Compound Name: 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])
• PubChem CID: 167673587
• Molecular Formula: C200H122N16OS3
• Molecular Weight: 2861.49 g/mol
• Exact Mass: 2858.91
• IUPAC Name: 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])
• SMILES: C1=CC(c2ccccc2-c2ccc3c(n2)-c2ncccc2C32c3ccccc3-c3c2ccc2c3Oc3ccccc3N2c2cccc3ccccc23)=CCN1.c1ccc(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2cccnc2-c2nc(-c4ccccc4-c4cccc5cccnc45)ccc23)cc1.c1ccc(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2cccnc2-c2nc(-c4ccccc4-c4cccc5cccnc45)ccc23)cc1.c1ccc2c(c1)Sc1c(ccc3c1-c1ccccc1C31c3cccnc3-c3nc(-c4ccccc4-c4ccncc4)ccc31)N2c1cccc2ccccc12
• InChI: InChI=1S/C50H32N4O.3C50H30N4S/c2*1-2-14-34-31(11-1)12-9-20-42(34)54-43-19-7-8-21-45(43)55-49-44(54)25-23-38-46(49)36-16-5-6-17-37(36)50(38)39-18-10-28-52-47(39)48-40(50)22-24-41(53-48)35-15-4-3-13-33(35)32-26-29-51-30-27-32;2*1-2-15-32(16-3-1)54-42-23-8-9-24-44(42)55-49-43(54)28-26-38-45(49)36-19-6-7-21-37(36)50(38)39-22-12-30-52-47(39)48-40(50)25-27-41(53-48)34-18-5-4-17-33(34)35-20-10-13-31-14-11-29-51-46(31)35/h1-29,51H,30H2;3*1-30H
• InChIKey: UMJRIKSODQSIAL-UHFFFAOYSA-N
• XLogP: 49.63
• TPSA: 176.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.49
LogP ≤ 5	49.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])?

The IUPAC name of 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]) (CID 167673587) is 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]).

What is the SMILES notation for 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])?

The canonical SMILES for 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]) is C1=CC(c2ccccc2-c2ccc3c(n2)-c2ncccc2C32c3ccccc3-c3c2ccc2c3Oc3ccccc3N2c2cccc3ccccc23)=CCN1.c1ccc(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2cccnc2-c2nc(-c4ccccc4-c4cccc5cccnc45)ccc23)cc1.c1ccc(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2cccnc2-c2nc(-c4ccccc4-c4cccc5cccnc45)ccc23)cc1.c1ccc2c(c1)Sc1c(ccc3c1-c1ccccc1C31c3cccnc3-c3nc(-c4ccccc4-c4ccncc4)ccc31)N2c1cccc2ccccc12.

What is the InChIKey of 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])?

The InChIKey is UMJRIKSODQSIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O.3C50H30N4S/c2*1-2-14-34-31(11-1)12-9-20-42(34)54-43-19-7-8-21-45(43)55-49-44(54)25-23-38-46(49)36-16-5-6-17-37(36)50(38)39-18-10-28-52-47(39)48-40(50)22-24-41(53-48)35-15-4-3-13-33(35)32-26-29-51-30-27-32;2*1-2-15-32(16-3-1)54-42-23-8-9-24-44(42)55-49-43(54)28-26-38-45(49)36-19-6-7-21-37(36)50(38)39-22-12-30-52-47(39)48-40(50)25-27-41(53-48)34-18-5-4-17-33(34)35-20-10-13-31-14-11-29-51-46(31)35/h1-29,51H,30H2;3*1-30H.

What are the key properties of 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine])?

4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]) has a molecular weight of 2861.49 g/mol, XLogP of 49.63, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1,2-dihydropyridin-4-yl)phenyl]-5'-naphthalen-1-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenoxazine];5'-naphthalen-1-yl-4-(2-pyridin-4-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine];bis(5'-phenyl-4-(2-quinolin-8-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]) is sourced from PubChem (CID 167673587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).