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

C68H51N — CID 170217562

IUPAC2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21
InChIInChI=1S/C68H51N/c1-67(2)62-31-12-9-25-57(62)59-41-37-47(43-64(59)67)53-23-11-14-33-65(53)69(49-20-15-19-46(42-49)52-27-16-28-54-50-21-6-5-18-44(50)36-40-56(52)54)48-38-34-45(35-39-48)51-22-7-8-24-55(51)60-29-17-30-61-58-26-10-13-32-63(58)68(3,4)66(60)61/h5-43H,1-4H3
InChIKeyHKZXJQZVKAHUQL-UHFFFAOYSA-N
MW882.16 g/mol
LogP18.74
Rot. Bonds7

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

2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline (PubChem CID 170217562) has the molecular formula C68H51N and a molecular weight of 882.16 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
PubChem CID170217562
Molecular FormulaC68H51N
Molecular Weight882.16 g/mol
Exact Mass881.40
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21
InChIInChI=1S/C68H51N/c1-67(2)62-31-12-9-25-57(62)59-41-37-47(43-64(59)67)53-23-11-14-33-65(53)69(49-20-15-19-46(42-49)52-27-16-28-54-50-21-6-5-18-44(50)36-40-56(52)54)48-38-34-45(35-39-48)51-22-7-8-24-55(51)60-29-17-30-61-58-26-10-13-32-63(58)68(3,4)66(60)61/h5-43H,1-4H3
InChIKeyHKZXJQZVKAHUQL-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.16
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 170215574
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170216761
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170217536

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline (CID 170217562) is 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline?
The InChIKey is HKZXJQZVKAHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H51N/c1-67(2)62-31-12-9-25-57(62)59-41-37-47(43-64(59)67)53-23-11-14-33-65(53)69(49-20-15-19-46(42-49)52-27-16-28-54-50-21-6-5-18-44(50)36-40-56(52)54)48-38-34-45(35-39-48)51-22-7-8-24-55(51)60-29-17-30-61-58-26-10-13-32-63(58)68(3,4)66(60)61/h5-43H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline?
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline has a molecular weight of 882.16 g/mol, XLogP of 18.74, 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-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline is sourced from PubChem (CID 170217562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).