4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline

C43H31N — CID 165158405

IUPAC4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C43H31N/c1-3-13-31(14-4-1)32-23-27-35(28-24-32)44-36-29-25-33(26-30-36)37-17-7-10-20-40(37)43(34-15-5-2-6-16-34)41-21-11-8-18-38(41)39-19-9-12-22-42(39)43/h1-30,44H
InChIKeyICNYYDKGYYVHOV-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.13
Rot. Bonds6

About 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline

4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline (PubChem CID 165158405) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
PubChem CID165158405
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C43H31N/c1-3-13-31(14-4-1)32-23-27-35(28-24-32)44-36-29-25-33(26-30-36)37-17-7-10-20-40(37)43(34-15-5-2-6-16-34)41-21-11-8-18-38(41)39-19-9-12-22-42(39)43/h1-30,44H
InChIKeyICNYYDKGYYVHOV-UHFFFAOYSA-N
XLogP11.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline with MolForge

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Related Compounds

2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
CID 146414017
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 165158441
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
3,9,9-triphenylfluorene
CID 140844354
8-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 168793860
9-phenyl-N-(2-phenylphenyl)-9-(4-phenylphenyl)fluoren-4-amine
CID 155297478

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline (CID 165158405) is 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline?
The InChIKey is ICNYYDKGYYVHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-3-13-31(14-4-1)32-23-27-35(28-24-32)44-36-29-25-33(26-30-36)37-17-7-10-20-40(37)43(34-15-5-2-6-16-34)41-21-11-8-18-38(41)39-19-9-12-22-42(39)43/h1-30,44H.
What are the key properties of 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline?
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline has a molecular weight of 561.73 g/mol, XLogP of 11.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 165158405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).