2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C60H47N — CID 170142402

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C60H47N/c1-59(2)54-28-12-9-23-52(54)57-50(25-16-29-55(57)59)49-22-10-13-30-56(49)61(45-35-31-41(32-36-45)44-20-14-19-43(39-44)40-17-6-5-7-18-40)46-37-33-42(34-38-46)47-24-15-26-51-48-21-8-11-27-53(48)60(3,4)58(47)51/h5-39H,1-4H3
InChIKeyMXPLQRMDMVVBOK-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.44
Rot. Bonds7

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 170142402) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID170142402
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C60H47N/c1-59(2)54-28-12-9-23-52(54)57-50(25-16-29-55(57)59)49-22-10-13-30-56(49)61(45-35-31-41(32-36-45)44-20-14-19-43(39-44)40-17-6-5-7-18-40)46-37-33-42(34-38-46)47-24-15-26-51-48-21-8-11-27-53(48)60(3,4)58(47)51/h5-39H,1-4H3
InChIKeyMXPLQRMDMVVBOK-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
CID 170143663
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 170142402) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is MXPLQRMDMVVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)54-28-12-9-23-52(54)57-50(25-16-29-55(57)59)49-22-10-13-30-56(49)61(45-35-31-41(32-36-45)44-20-14-19-43(39-44)40-17-6-5-7-18-40)46-37-33-42(34-38-46)47-24-15-26-51-48-21-8-11-27-53(48)60(3,4)58(47)51/h5-39H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 782.04 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170142402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).