5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

C60H47N — CID 166895509

About 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 166895509) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
• PubChem CID: 166895509
• Molecular Formula: C60H47N
• Molecular Weight: 782.04 g/mol
• Exact Mass: 781.37
• IUPAC Name: 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)C(C)(C)c3cccc(C5Cc6ccccc6-c6ccccc65)c3-4)cc21
• InChI: InChI=1S/C60H47N/c1-59(2)54-22-12-11-20-49(54)50-32-30-44(36-56(50)59)61(43-28-26-39(27-29-43)41-25-24-38-14-5-6-15-40(38)34-41)45-31-33-52-57(37-45)60(3,4)55-23-13-21-51(58(52)55)53-35-42-16-7-8-17-46(42)47-18-9-10-19-48(47)53/h5-34,36-37,53H,35H2,1-4H3
• InChIKey: RZNVUHMYDOVDQV-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.04
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The IUPAC name of 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (CID 166895509) is 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)C(C)(C)c3cccc(C5Cc6ccccc6-c6ccccc65)c3-4)cc21.

What is the InChIKey of 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

The InChIKey is RZNVUHMYDOVDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)54-22-12-11-20-49(54)50-32-30-44(36-56(50)59)61(43-28-26-39(27-29-43)41-25-24-38-14-5-6-15-40(38)34-41)45-31-33-52-57(37-45)60(3,4)55-23-13-21-51(58(52)55)53-35-42-16-7-8-17-46(42)47-18-9-10-19-48(47)53/h5-34,36-37,53H,35H2,1-4H3.

What are the key properties of 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?

5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 782.04 g/mol, XLogP of 15.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,10-dihydrophenanthren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 166895509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).