9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C98H84N2O4 — CID 146516848

About 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 146516848) has the molecular formula C98H84N2O4 and a molecular weight of 1353.76 g/mol. Its IUPAC name is 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 146516848
• Molecular Formula: C98H84N2O4
• Molecular Weight: 1353.76 g/mol
• Exact Mass: 1352.64
• IUPAC Name: 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC1(COc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(C7=CC8=C(CC7)C7C=CC=CC7C8(c7ccccc7)c7ccc(OCC8(CC)COC8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)cc43)cc2)COC1
• InChI: InChI=1S/C98H84N2O4/c1-3-95(63-101-64-95)67-103-85-55-41-77(42-56-85)97(75-25-13-7-14-26-75)91-31-19-17-29-87(91)89-59-53-83(61-93(89)97)99(79-45-33-71(34-46-79)69-21-9-5-10-22-69)81-49-37-73(38-50-81)74-39-51-82(52-40-74)100(80-47-35-72(36-48-80)70-23-11-6-12-24-70)84-54-60-90-88-30-18-20-32-92(88)98(94(90)62-84,76-27-15-8-16-28-76)78-43-57-86(58-44-78)104-68-96(4-2)65-102-66-96/h5-53,55-59,61-62,88,92H,3-4,54,60,63-68H2,1-2H3
• InChIKey: GIFOEONSQHGMLF-UHFFFAOYSA-N
• XLogP: 23.60
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.76
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 146516848) is 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC1(COc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(C7=CC8=C(CC7)C7C=CC=CC7C8(c7ccccc7)c7ccc(OCC8(CC)COC8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)cc43)cc2)COC1.

What is the InChIKey of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is GIFOEONSQHGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H84N2O4/c1-3-95(63-101-64-95)67-103-85-55-41-77(42-56-85)97(75-25-13-7-14-26-75)91-31-19-17-29-87(91)89-59-53-83(61-93(89)97)99(79-45-33-71(34-46-79)69-21-9-5-10-22-69)81-49-37-73(38-50-81)74-39-51-82(52-40-74)100(80-47-35-72(36-48-80)70-23-11-6-12-24-70)84-54-60-90-88-30-18-20-32-92(88)98(94(90)62-84,76-27-15-8-16-28-76)78-43-57-86(58-44-78)104-68-96(4-2)65-102-66-96/h5-53,55-59,61-62,88,92H,3-4,54,60,63-68H2,1-2H3.

What are the key properties of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1353.76 g/mol, XLogP of 23.60, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-phenyl-3,4,4b,8a-tetrahydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 146516848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).