2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline

C63H43N — CID 169019616

IUPAC2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cccc32)cc1
InChIInChI=1S/C63H43N/c1-3-20-52(21-4-1)63(53-22-5-2-6-23-53)59-27-13-11-25-58(59)62-57(26-15-28-60(62)63)56-24-12-14-29-61(56)64(54-38-34-46(35-39-54)50-32-30-44-16-7-9-18-48(44)42-50)55-40-36-47(37-41-55)51-33-31-45-17-8-10-19-49(45)43-51/h1-43H
InChIKeyZYLXZXFCSWVEDB-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline

2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169019616) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID169019616
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC Name2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cccc32)cc1
InChIInChI=1S/C63H43N/c1-3-20-52(21-4-1)63(53-22-5-2-6-23-53)59-27-13-11-25-58(59)62-57(26-15-28-60(62)63)56-24-12-14-29-61(56)64(54-38-34-46(35-39-54)50-32-30-44-16-7-9-18-48(44)42-50)55-40-36-47(37-41-55)51-33-31-45-17-8-10-19-49(45)43-51/h1-43H
InChIKeyZYLXZXFCSWVEDB-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 169020091
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170135425
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 169019837
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline (CID 169019616) is 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cccc32)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is ZYLXZXFCSWVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-3-20-52(21-4-1)63(53-22-5-2-6-23-53)59-27-13-11-25-58(59)62-57(26-15-28-60(62)63)56-24-12-14-29-61(56)64(54-38-34-46(35-39-54)50-32-30-44-16-7-9-18-48(44)42-50)55-40-36-47(37-41-55)51-33-31-45-17-8-10-19-49(45)43-51/h1-43H.
What are the key properties of 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 814.04 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169019616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).