3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C139H102N2 — CID 161401522

About 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 161401522) has the molecular formula C139H102N2 and a molecular weight of 1800.36 g/mol. Its IUPAC name is 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 161401522
• Molecular Formula: C139H102N2
• Molecular Weight: 1800.36 g/mol
• Exact Mass: 1798.80
• IUPAC Name: 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c(-c5ccc(-c6ccccc6)cc5)cccc3-4)cc21.Cc1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2-c2ccccc2)c2cccc(-c4ccccc4)c2-3)c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C70H51N.C69H51N/c1-69(2)64-32-17-15-29-60(64)61-45-43-57(47-65(61)69)71(56-41-38-51(39-42-56)49-22-9-4-10-23-49)67-33-18-16-28-58(67)53-40-44-62-63-31-19-30-59(52-36-34-50(35-37-52)48-20-7-3-8-21-48)68(63)70(66(62)46-53,54-24-11-5-12-25-54)55-26-13-6-14-27-55;1-48-45-63(49(2)67(46-48)70(58-40-35-52(36-41-58)50-21-8-3-9-22-50)59-42-37-53(38-43-59)51-23-10-4-11-24-51)56-39-44-62-66(47-56)69(57-29-16-7-17-30-57,64-33-19-18-31-60(64)54-25-12-5-13-26-54)65-34-20-32-61(68(62)65)55-27-14-6-15-28-55/h3-47H,1-2H3;3-47H,1-2H3
• InChIKey: VUHJPDSDLXCXKW-UHFFFAOYSA-N
• XLogP: 36.97
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1800.36
LogP ≤ 5	36.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 161401522) is 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c(-c5ccc(-c6ccccc6)cc5)cccc3-4)cc21.Cc1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2-c2ccccc2)c2cccc(-c4ccccc4)c2-3)c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is VUHJPDSDLXCXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N.C69H51N/c1-69(2)64-32-17-15-29-60(64)61-45-43-57(47-65(61)69)71(56-41-38-51(39-42-56)49-22-9-4-10-23-49)67-33-18-16-28-58(67)53-40-44-62-63-31-19-30-59(52-36-34-50(35-37-52)48-20-7-3-8-21-48)68(63)70(66(62)46-53,54-24-11-5-12-25-54)55-26-13-6-14-27-55;1-48-45-63(49(2)67(46-48)70(58-40-35-52(36-41-58)50-21-8-3-9-22-50)59-42-37-53(38-43-59)51-23-10-4-11-24-51)56-39-44-62-66(47-56)69(57-29-16-7-17-30-57,64-33-19-18-31-60(64)54-25-12-5-13-26-54)65-34-20-32-61(68(62)65)55-27-14-6-15-28-55/h3-47H,1-2H3;3-47H,1-2H3.

What are the key properties of 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1800.36 g/mol, XLogP of 36.97, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,9-diphenyl-9-(2-phenylphenyl)fluoren-2-yl]-2,5-dimethyl-N,N-bis(4-phenylphenyl)aniline;N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 161401522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).