N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

C53H35NO2 — CID 170535984

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (PubChem CID 170535984) has the molecular formula C53H35NO2 and a molecular weight of 717.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
• PubChem CID: 170535984
• Molecular Formula: C53H35NO2
• Molecular Weight: 717.87 g/mol
• Exact Mass: 717.27
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3c(-c4ccc5ccccc5c4)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21
• InChI: InChI=1S/C53H35NO2/c1-53(2)43-19-9-7-17-39(43)40-25-24-36(31-44(40)53)54(45-20-11-15-33-13-5-6-16-37(33)45)51-38(35-23-22-32-12-3-4-14-34(32)30-35)26-27-42-50-48(56-52(42)51)29-28-47-49(50)41-18-8-10-21-46(41)55-47/h3-31H,1-2H3
• InChIKey: IINVOSKZRLNCMP-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.87
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (CID 170535984) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3c(-c4ccc5ccccc5c4)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?

The InChIKey is IINVOSKZRLNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2/c1-53(2)43-19-9-7-17-39(43)40-25-24-36(31-44(40)53)54(45-20-11-15-33-13-5-6-16-37(33)45)51-38(35-23-22-32-12-3-4-14-34(32)30-35)26-27-42-50-48(56-52(42)51)29-28-47-49(50)41-18-8-10-21-46(41)55-47/h3-31H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine has a molecular weight of 717.87 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is sourced from PubChem (CID 170535984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).