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

C66H49N3 — CID 170653015

IUPAC1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4cccc(-c5nc6ccccc6cc5-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C66H49N3/c1-66(2)62-27-14-13-26-59(62)60-42-41-58(45-63(60)66)69(54-35-33-49(34-36-54)48-31-29-47(30-32-48)46-17-6-3-7-18-46)56-39-37-55(38-40-56)68(53-23-10-5-11-24-53)57-25-16-22-52(43-57)65-61(50-19-8-4-9-20-50)44-51-21-12-15-28-64(51)67-65/h3-45H,1-2H3
InChIKeyBSBRFFMJMACPKJ-UHFFFAOYSA-N
MW884.14 g/mol
LogP18.15
Rot. Bonds10

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

1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 170653015) has the molecular formula C66H49N3 and a molecular weight of 884.14 g/mol. Its IUPAC name is 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
PubChem CID170653015
Molecular FormulaC66H49N3
Molecular Weight884.14 g/mol
Exact Mass883.39
IUPAC Name1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4cccc(-c5nc6ccccc6cc5-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C66H49N3/c1-66(2)62-27-14-13-26-59(62)60-42-41-58(45-63(60)66)69(54-35-33-49(34-36-54)48-31-29-47(30-32-48)46-17-6-3-7-18-46)56-39-37-55(38-40-56)68(53-23-10-5-11-24-53)57-25-16-22-52(43-57)65-61(50-19-8-4-9-20-50)44-51-21-12-15-28-64(51)67-65/h3-45H,1-2H3
InChIKeyBSBRFFMJMACPKJ-UHFFFAOYSA-N
XLogP18.15
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.14
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
CID 163410811
CID 163410811

Frequently Asked Questions

What is the IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine (CID 170653015) is 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N(c4ccccc4)c4cccc(-c5nc6ccccc6cc5-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is BSBRFFMJMACPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3/c1-66(2)62-27-14-13-26-59(62)60-42-41-58(45-63(60)66)69(54-35-33-49(34-36-54)48-31-29-47(30-32-48)46-17-6-3-7-18-46)56-39-37-55(38-40-56)68(53-23-10-5-11-24-53)57-25-16-22-52(43-57)65-61(50-19-8-4-9-20-50)44-51-21-12-15-28-64(51)67-65/h3-45H,1-2H3.
What are the key properties of 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine?
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 884.14 g/mol, XLogP of 18.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 170653015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).