4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C63H51N — CID 169019496

IUPAC4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21
InChIInChI=1S/C63H51N/c1-5-63(49-35-33-48(34-36-49)62(2,3)4)59-25-11-10-21-58(59)61-57(24-14-26-60(61)63)47-31-41-52(42-32-47)64(50-37-27-45(28-38-50)55-22-12-17-43-15-6-8-19-53(43)55)51-39-29-46(30-40-51)56-23-13-18-44-16-7-9-20-54(44)56/h6-42H,5H2,1-4H3
InChIKeyJXQYDZIXTLDHQQ-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.49
Rot. Bonds8

About 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 169019496) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID169019496
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC Name4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21
InChIInChI=1S/C63H51N/c1-5-63(49-35-33-48(34-36-49)62(2,3)4)59-25-11-10-21-58(59)61-57(24-14-26-60(61)63)47-31-41-52(42-32-47)64(50-37-27-45(28-38-50)55-22-12-17-43-15-6-8-19-53(43)55)51-39-29-46(30-40-51)56-23-13-18-44-16-7-9-20-54(44)56/h6-42H,5H2,1-4H3
InChIKeyJXQYDZIXTLDHQQ-UHFFFAOYSA-N
XLogP17.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019865
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
CID 158190422
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
N-[4-(9,9-dimethyl-4-phenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 131994078

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 169019496) is 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is CCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21.
What is the InChIKey of 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is JXQYDZIXTLDHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-5-63(49-35-33-48(34-36-49)62(2,3)4)59-25-11-10-21-58(59)61-57(24-14-26-60(61)63)47-31-41-52(42-32-47)64(50-37-27-45(28-38-50)55-22-12-17-43-15-6-8-19-53(43)55)51-39-29-46(30-40-51)56-23-13-18-44-16-7-9-20-54(44)56/h6-42H,5H2,1-4H3.
What are the key properties of 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 822.11 g/mol, XLogP of 17.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-tert-butylphenyl)-9-ethylfluoren-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 169019496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).