4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline

C62H43N — CID 137413930

IUPAC4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline
SMILESc1ccc(C2c3ccccc3-c3cc(-c4cc5c(cc4-c4ccc(N(c6ccccc6)c6ccccc6)cc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C62H43N/c1-6-20-44(21-7-1)61-53-32-17-16-30-51(53)57-40-45(36-39-54(57)61)55-41-58-52-31-18-19-33-59(52)62(46-22-8-2-9-23-46,47-24-10-3-11-25-47)60(58)42-56(55)43-34-37-50(38-35-43)63(48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42,61H
InChIKeyUURKSCLTBQHRAR-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.01
Rot. Bonds8

About 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline

4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline (PubChem CID 137413930) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline
PubChem CID137413930
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline
SMILESc1ccc(C2c3ccccc3-c3cc(-c4cc5c(cc4-c4ccc(N(c6ccccc6)c6ccccc6)cc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C62H43N/c1-6-20-44(21-7-1)61-53-32-17-16-30-51(53)57-40-45(36-39-54(57)61)55-41-58-52-31-18-19-33-59(52)62(46-22-8-2-9-23-46,47-24-10-3-11-25-47)60(58)42-56(55)43-34-37-50(38-35-43)63(48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42,61H
InChIKeyUURKSCLTBQHRAR-UHFFFAOYSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine
CID 156687312
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
4-[3,6-bis(9,9-dimethylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9-diphenylfluoren-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline
CID 158185376
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
CID 144639598

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline (CID 137413930) is 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline is c1ccc(C2c3ccccc3-c3cc(-c4cc5c(cc4-c4ccc(N(c6ccccc6)c6ccccc6)cc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline?
The InChIKey is UURKSCLTBQHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-20-44(21-7-1)61-53-32-17-16-30-51(53)57-40-45(36-39-54(57)61)55-41-58-52-31-18-19-33-59(52)62(46-22-8-2-9-23-46,47-24-10-3-11-25-47)60(58)42-56(55)43-34-37-50(38-35-43)63(48-26-12-4-13-27-48)49-28-14-5-15-29-49/h1-42,61H.
What are the key properties of 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline?
4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline has a molecular weight of 802.03 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 137413930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).