4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline

C63H42N2O — CID 153475864

IUPAC4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c23)cc1
InChIInChI=1S/C63H42N2O/c1-5-18-45(19-6-1)60-55-27-14-16-30-58(55)65-61-52(28-17-31-59(61)66-62(60)65)44-34-39-51(40-35-44)64(49-24-11-4-12-25-49)50-37-32-43(33-38-50)46-36-41-54-53-26-13-15-29-56(53)63(57(54)42-46,47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-42H
InChIKeySSODUJQLTVEDRI-UHFFFAOYSA-N
MW843.04 g/mol
LogP16.67
Rot. Bonds8

About 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline

4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline (PubChem CID 153475864) has the molecular formula C63H42N2O and a molecular weight of 843.04 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
PubChem CID153475864
Molecular FormulaC63H42N2O
Molecular Weight843.04 g/mol
Exact Mass842.33
IUPAC Name4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c23)cc1
InChIInChI=1S/C63H42N2O/c1-5-18-45(19-6-1)60-55-27-14-16-30-58(55)65-61-52(28-17-31-59(61)66-62(60)65)44-34-39-51(40-35-44)64(49-24-11-4-12-25-49)50-37-32-43(33-38-50)46-36-41-54-53-26-13-15-29-56(53)63(57(54)42-46,47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-42H
InChIKeySSODUJQLTVEDRI-UHFFFAOYSA-N
XLogP16.67
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.04
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118180091
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
CID 164769104
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 122578451
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;N,9-diphenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]carbazol-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 160866255
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121423893
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline?
The IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline (CID 153475864) is 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline.
What is the SMILES notation for 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline?
The canonical SMILES for 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline is c1ccc(-c2c3ccccc3n3c2oc2cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c23)cc1.
What is the InChIKey of 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline?
The InChIKey is SSODUJQLTVEDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O/c1-5-18-45(19-6-1)60-55-27-14-16-30-58(55)65-61-52(28-17-31-59(61)66-62(60)65)44-34-39-51(40-35-44)64(49-24-11-4-12-25-49)50-37-32-43(33-38-50)46-36-41-54-53-26-13-15-29-56(53)63(57(54)42-46,47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-42H.
What are the key properties of 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline?
4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline has a molecular weight of 843.04 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)phenyl]aniline is sourced from PubChem (CID 153475864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).