N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline

C73H51N — CID 166987738

IUPACN-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C73H51N/c1-6-25-52(26-7-1)54-45-47-61(48-46-54)74(60-33-14-5-15-34-60)71-44-23-20-38-66(71)65-37-17-16-35-62(65)57-49-56(53-27-8-2-9-28-53)50-58(51-57)64-40-24-43-70-72(64)67-39-19-22-42-69(67)73(70,59-31-12-4-13-32-59)68-41-21-18-36-63(68)55-29-10-3-11-30-55/h1-51H
InChIKeyLWDWJPURMOGCBR-UHFFFAOYSA-N
MW942.22 g/mol
LogP19.52
Rot. Bonds11

About N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline

N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline (PubChem CID 166987738) has the molecular formula C73H51N and a molecular weight of 942.22 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline
PubChem CID166987738
Molecular FormulaC73H51N
Molecular Weight942.22 g/mol
Exact Mass941.40
IUPAC NameN-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C73H51N/c1-6-25-52(26-7-1)54-45-47-61(48-46-54)74(60-33-14-5-15-34-60)71-44-23-20-38-66(71)65-37-17-16-35-62(65)57-49-56(53-27-8-2-9-28-53)50-58(51-57)64-40-24-43-70-72(64)67-39-19-22-42-69(67)73(70,59-31-12-4-13-32-59)68-41-21-18-36-63(68)55-29-10-3-11-30-55/h1-51H
InChIKeyLWDWJPURMOGCBR-UHFFFAOYSA-N
XLogP19.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.22
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
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
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline (CID 166987738) is N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline?
The InChIKey is LWDWJPURMOGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N/c1-6-25-52(26-7-1)54-45-47-61(48-46-54)74(60-33-14-5-15-34-60)71-44-23-20-38-66(71)65-37-17-16-35-62(65)57-49-56(53-27-8-2-9-28-53)50-58(51-57)64-40-24-43-70-72(64)67-39-19-22-42-69(67)73(70,59-31-12-4-13-32-59)68-41-21-18-36-63(68)55-29-10-3-11-30-55/h1-51H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline?
N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline has a molecular weight of 942.22 g/mol, XLogP of 19.52, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 166987738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).