N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline

C71H49N — CID 169020349

IUPACN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C71H49N/c1-4-19-50(20-5-1)51-37-39-52(40-38-51)57-23-16-28-61(49-57)72(69-36-15-13-30-64(69)55-43-41-54(42-44-55)63-32-17-22-53-21-10-11-29-62(53)63)60-47-45-56(46-48-60)65-33-18-35-68-70(65)66-31-12-14-34-67(66)71(68,58-24-6-2-7-25-58)59-26-8-3-9-27-59/h1-49H
InChIKeyCQPBDPPHUPNKJW-UHFFFAOYSA-N
MW916.18 g/mol
LogP19.01
Rot. Bonds10

About N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline (PubChem CID 169020349) has the molecular formula C71H49N and a molecular weight of 916.18 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
PubChem CID169020349
Molecular FormulaC71H49N
Molecular Weight916.18 g/mol
Exact Mass915.39
IUPAC NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C71H49N/c1-4-19-50(20-5-1)51-37-39-52(40-38-51)57-23-16-28-61(49-57)72(69-36-15-13-30-64(69)55-43-41-54(42-44-55)63-32-17-22-53-21-10-11-29-62(53)63)60-47-45-56(46-48-60)65-33-18-35-68-70(65)66-31-12-14-34-67(66)71(68,58-24-6-2-7-25-58)59-26-8-3-9-27-59/h1-49H
InChIKeyCQPBDPPHUPNKJW-UHFFFAOYSA-N
XLogP19.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.18
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303422
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 169020091

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline (CID 169020349) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The InChIKey is CQPBDPPHUPNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-4-19-50(20-5-1)51-37-39-52(40-38-51)57-23-16-28-61(49-57)72(69-36-15-13-30-64(69)55-43-41-54(42-44-55)63-32-17-22-53-21-10-11-29-62(53)63)60-47-45-56(46-48-60)65-33-18-35-68-70(65)66-31-12-14-34-67(66)71(68,58-24-6-2-7-25-58)59-26-8-3-9-27-59/h1-49H.
What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline has a molecular weight of 916.18 g/mol, XLogP of 19.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 169020349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).