N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine

C68H44N2S — CID 167225020

About N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine

N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine (PubChem CID 167225020) has the molecular formula C68H44N2S and a molecular weight of 921.18 g/mol. Its IUPAC name is N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine
• PubChem CID: 167225020
• Molecular Formula: C68H44N2S
• Molecular Weight: 921.18 g/mol
• Exact Mass: 920.32
• IUPAC Name: N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine
• SMILES: CC1(C)c2ccccc2C2(c3ccccc31)c1ccc(-c3ccc4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc4c3)c3c1-c1c2ccc2c4ccccc4n(c12)-c1ccccc1-3
• InChI: InChI=1S/C68H44N2S/c1-67(2)52-23-9-11-25-54(52)68(55-26-12-10-24-53(55)67)56-37-35-46(62-51-21-7-14-28-59(51)70-58-27-13-6-19-47(58)49-36-38-57(68)64(63(56)62)65(49)70)42-32-31-41-33-34-45(40-43(41)39-42)69(44-17-4-3-5-18-44)60-29-16-22-50-48-20-8-15-30-61(48)71-66(50)60/h3-40H,1-2H3
• InChIKey: YPTWGYXWIFHFTP-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.18
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine?

The IUPAC name of N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine (CID 167225020) is N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine.

What is the SMILES notation for N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine?

The canonical SMILES for N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2C2(c3ccccc31)c1ccc(-c3ccc4ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc4c3)c3c1-c1c2ccc2c4ccccc4n(c12)-c1ccccc1-3.

What is the InChIKey of N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine?

The InChIKey is YPTWGYXWIFHFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2S/c1-67(2)52-23-9-11-25-54(52)68(55-26-12-10-24-53(55)67)56-37-35-46(62-51-21-7-14-28-59(51)70-58-27-13-6-19-47(58)49-36-38-57(68)64(63(56)62)65(49)70)42-32-31-41-33-34-45(40-43(41)39-42)69(44-17-4-3-5-18-44)60-29-16-22-50-48-20-8-15-30-61(48)71-66(50)60/h3-40H,1-2H3.

What are the key properties of N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine?

N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 921.18 g/mol, XLogP of 18.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167225020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).