N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine

C68H43F2N3O — CID 147203604

About N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine

N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine (PubChem CID 147203604) has the molecular formula C68H43F2N3O and a molecular weight of 956.11 g/mol. Its IUPAC name is N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine.

Molecular Properties

• Compound Name: N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine
• PubChem CID: 147203604
• Molecular Formula: C68H43F2N3O
• Molecular Weight: 956.11 g/mol
• Exact Mass: 955.34
• IUPAC Name: N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine
• SMILES: CC12c3ccccc3-c3cc4c(c(c31)N(c1ccc(-c3ccccc3F)cc1)c1ccccc12)-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3F)cc2)cc1C41c2ccccc2Oc2cccnc21
• InChI: InChI=1S/C68H43F2N3O/c1-67-53-21-8-5-20-50(53)52-41-57-63(65(64(52)67)73(60-26-13-9-22-54(60)67)46-35-31-43(32-36-46)49-19-7-12-25-59(49)70)51-38-37-47(40-56(51)68(57)55-23-10-14-27-61(55)74-62-28-15-39-71-66(62)68)72(44-16-3-2-4-17-44)45-33-29-42(30-34-45)48-18-6-11-24-58(48)69/h2-41H,1H3
• InChIKey: CDUVEGJUUWEHCO-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.11
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine?

The IUPAC name of N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine (CID 147203604) is N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine.

What is the SMILES notation for N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine?

The canonical SMILES for N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine is CC12c3ccccc3-c3cc4c(c(c31)N(c1ccc(-c3ccccc3F)cc1)c1ccccc12)-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3F)cc2)cc1C41c2ccccc2Oc2cccnc21.

What is the InChIKey of N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine?

The InChIKey is CDUVEGJUUWEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43F2N3O/c1-67-53-21-8-5-20-50(53)52-41-57-63(65(64(52)67)73(60-26-13-9-22-54(60)67)46-35-31-43(32-36-46)49-19-7-12-25-59(49)70)51-38-37-47(40-56(51)68(57)55-23-10-14-27-61(55)74-62-28-15-39-71-66(62)68)72(44-16-3-2-4-17-44)45-33-29-42(30-34-45)48-18-6-11-24-58(48)69/h2-41H,1H3.

What are the key properties of N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine?

N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine has a molecular weight of 956.11 g/mol, XLogP of 17.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,15-bis[4-(2-fluorophenyl)phenyl]-8-methyl-N-phenylspiro[15-azaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.018,23]heptacosa-1(26),2,4,6,9,11,13,16(27),17(25),18(23),19,21-dodecaene-24,10'-chromeno[3,2-b]pyridine]-21-amine is sourced from PubChem (CID 147203604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).