N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline

C65H43NO — CID 67964184

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc5c6ccccc6oc5c5ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)61-26-14-12-23-55(61)56-41-36-48(42-62(56)65)46-34-39-53(40-35-46)66(51-20-8-3-9-21-51)52-37-32-45(33-38-52)44-28-30-47(31-29-44)59-43-60-57-24-13-15-27-63(57)67-64(60)58-25-11-10-22-54(58)59/h1-43H
InChIKeyIQGFTMNCHLIDFX-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.57
Rot. Bonds8

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline (PubChem CID 67964184) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
PubChem CID67964184
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc5c6ccccc6oc5c5ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)61-26-14-12-23-55(61)56-41-36-48(42-62(56)65)46-34-39-53(40-35-46)66(51-20-8-3-9-21-51)52-37-32-45(33-38-52)44-28-30-47(31-29-44)59-43-60-57-24-13-15-27-63(57)67-64(60)58-25-11-10-22-54(58)59/h1-43H
InChIKeyIQGFTMNCHLIDFX-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[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
9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160807654
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-[4-[2-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 158288481
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
CID 164769104
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline (CID 67964184) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4cc5c6ccccc6oc5c5ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline?
The InChIKey is IQGFTMNCHLIDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)61-26-14-12-23-55(61)56-41-36-48(42-62(56)65)46-34-39-53(40-35-46)66(51-20-8-3-9-21-51)52-37-32-45(33-38-52)44-28-30-47(31-29-44)59-43-60-57-24-13-15-27-63(57)67-64(60)58-25-11-10-22-54(58)59/h1-43H.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline has a molecular weight of 854.07 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 67964184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).