4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline

C48H34N2 — CID 121461490

IUPAC4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C48H34N2/c1-5-17-35(18-6-1)37-33-46(36-19-7-2-8-20-36)49-47(34-37)48(44-27-15-13-25-42(44)43-26-14-16-28-45(43)48)38-29-31-41(32-30-38)50(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H
InChIKeyIXIMUDIGIXIQOX-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.25
Rot. Bonds7

About 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline

4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline (PubChem CID 121461490) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline
PubChem CID121461490
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C48H34N2/c1-5-17-35(18-6-1)37-33-46(36-19-7-2-8-20-36)49-47(34-37)48(44-27-15-13-25-42(44)43-26-14-16-28-45(43)48)38-29-31-41(32-30-38)50(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H
InChIKeyIXIMUDIGIXIQOX-UHFFFAOYSA-N
XLogP12.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157021353
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
CID 134944054
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
CID 90164601

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline (CID 121461490) is 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline?
The InChIKey is IXIMUDIGIXIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-5-17-35(18-6-1)37-33-46(36-19-7-2-8-20-36)49-47(34-37)48(44-27-15-13-25-42(44)43-26-14-16-28-45(43)48)38-29-31-41(32-30-38)50(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-34H.
What are the key properties of 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline?
4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline has a molecular weight of 638.81 g/mol, XLogP of 12.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 121461490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).