3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline

C64H45N — CID 169019619

IUPAC3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21
InChIInChI=1S/C64H45N/c1-64(53-19-3-2-4-20-53)61-26-10-9-23-60(61)63-59(25-13-27-62(63)64)52-18-11-21-56(43-52)65(55-40-36-47(37-41-55)51-33-30-44-14-5-6-16-50(44)42-51)54-38-34-46(35-39-54)45-28-31-49(32-29-45)58-24-12-17-48-15-7-8-22-57(48)58/h2-43H,1H3
InChIKeyBGHJMYCOKBERFL-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.47
Rot. Bonds8

About 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline

3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 169019619) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID169019619
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC Name3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21
InChIInChI=1S/C64H45N/c1-64(53-19-3-2-4-20-53)61-26-10-9-23-60(61)63-59(25-13-27-62(63)64)52-18-11-21-56(43-52)65(55-40-36-47(37-41-55)51-33-30-44-14-5-6-16-50(44)42-51)54-38-34-46(35-39-54)45-28-31-49(32-29-45)58-24-12-17-48-15-7-8-22-57(48)58/h2-43H,1H3
InChIKeyBGHJMYCOKBERFL-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
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
3-[9-methyl-9-[4-[3-[2-[4-[N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]fluoren-4-yl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170114098
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 169019619) is 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21.
What is the InChIKey of 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is BGHJMYCOKBERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-64(53-19-3-2-4-20-53)61-26-10-9-23-60(61)63-59(25-13-27-62(63)64)52-18-11-21-56(43-52)65(55-40-36-47(37-41-55)51-33-30-44-14-5-6-16-50(44)42-51)54-38-34-46(35-39-54)45-28-31-49(32-29-45)58-24-12-17-48-15-7-8-22-57(48)58/h2-43H,1H3.
What are the key properties of 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 828.07 g/mol, XLogP of 17.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 169019619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).