9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C63H45NO — CID 176597787

About 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176597787) has the molecular formula C63H45NO and a molecular weight of 832.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 176597787
• Molecular Formula: C63H45NO
• Molecular Weight: 832.06 g/mol
• Exact Mass: 831.35
• IUPAC Name: 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5-c5cc(-c7ccccc7)ccc5O6)cc4)cc3)cc21
• InChI: InChI=1S/C63H45NO/c1-63(2)59-20-12-11-19-55(59)56-36-35-52(41-60(56)63)64(50-31-25-45(26-32-50)42-13-5-3-6-14-42)51-33-27-46(28-34-51)44-21-23-47(24-22-44)49-30-38-62-58(40-49)54-18-10-9-17-53(54)57-39-48(29-37-61(57)65-62)43-15-7-4-8-16-43/h3-41H,1-2H3
• InChIKey: CKVBQSBDXIEDSX-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 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 176597787) is 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5-c5cc(-c7ccccc7)ccc5O6)cc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-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 9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176597787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).