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

C71H49N — CID 169020035

IUPACN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C71H49N/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)58-21-14-27-64(48-58)72(65-28-15-22-59(49-65)54-37-39-55(40-38-54)60-42-41-51-19-10-11-20-57(51)47-60)63-45-43-56(44-46-63)66-30-16-32-69-70(66)67-29-12-13-31-68(67)71(69,61-23-6-2-7-24-61)62-25-8-3-9-26-62/h1-49H
InChIKeyZWOLTAJDGWDJQP-UHFFFAOYSA-N
MW916.18 g/mol
LogP19.01
Rot. Bonds10

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

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline (PubChem CID 169020035) 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]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
PubChem CID169020035
Molecular FormulaC71H49N
Molecular Weight916.18 g/mol
Exact Mass915.39
IUPAC NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C71H49N/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)58-21-14-27-64(48-58)72(65-28-15-22-59(49-65)54-37-39-55(40-38-54)60-42-41-51-19-10-11-20-57(51)47-60)63-45-43-56(44-46-63)66-30-16-32-69-70(66)67-29-12-13-31-68(67)71(69,61-23-6-2-7-24-61)62-25-8-3-9-26-62/h1-49H
InChIKeyZWOLTAJDGWDJQP-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]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
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-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 157395507
3-dibenzofuran-4-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158258479
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline (CID 169020035) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3)cc2)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The InChIKey is ZWOLTAJDGWDJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)58-21-14-27-64(48-58)72(65-28-15-22-59(49-65)54-37-39-55(40-38-54)60-42-41-51-19-10-11-20-57(51)47-60)63-45-43-56(44-46-63)66-30-16-32-69-70(66)67-29-12-13-31-68(67)71(69,61-23-6-2-7-24-61)62-25-8-3-9-26-62/h1-49H.
What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)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]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 169020035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).