N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine

C63H45NO — CID 176597824

About N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine

N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine (PubChem CID 176597824) has the molecular formula C63H45NO and a molecular weight of 832.06 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
• PubChem CID: 176597824
• Molecular Formula: C63H45NO
• Molecular Weight: 832.06 g/mol
• Exact Mass: 831.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccc(-c5ccccc5)cc3-c3ccc(-c5ccc(-c6ccccc6)cc5)cc3O4)cc21
• InChI: InChI=1S/C63H45NO/c1-63(2)59-24-13-12-23-54(59)55-35-31-52(41-60(55)63)64(50-22-14-21-47(37-50)43-17-8-4-9-18-43)51-32-36-61-58(40-51)53-33-29-48(44-19-10-5-11-20-44)38-57(53)56-34-30-49(39-62(56)65-61)46-27-25-45(26-28-46)42-15-6-3-7-16-42/h3-41H,1-2H3
• InChIKey: KIDNCTPEQXIHKH-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.06
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine (CID 176597824) is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccc(-c5ccccc5)cc3-c3ccc(-c5ccc(-c6ccccc6)cc5)cc3O4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The InChIKey is KIDNCTPEQXIHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO/c1-63(2)59-24-13-12-23-54(59)55-35-31-52(41-60(55)63)64(50-22-14-21-47(37-50)43-17-8-4-9-18-43)51-32-36-61-58(40-51)53-33-29-48(44-19-10-5-11-20-44)38-57(53)56-34-30-49(39-62(56)65-61)46-27-25-45(26-28-46)42-15-6-3-7-16-42/h3-41H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine has a molecular weight of 832.06 g/mol, XLogP of 17.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(3-phenylphenyl)-17-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine is sourced from PubChem (CID 176597824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).