N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine

C62H43NO — CID 170239526

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)c4oc5c6ccccc6ccc5c4c3)cc21
InChIInChI=1S/C62H43NO/c1-61(2)55-28-16-14-26-48(55)50-34-31-44(38-57(50)61)63(46-36-53(40-18-6-3-7-19-40)60-54(37-46)52-33-30-41-20-12-13-25-47(41)59(52)64-60)45-32-35-51-49-27-15-17-29-56(49)62(58(51)39-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyNAQAQPDVZFTPEG-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170239526) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170239526
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)c4oc5c6ccccc6ccc5c4c3)cc21
InChIInChI=1S/C62H43NO/c1-61(2)55-28-16-14-26-48(55)50-34-31-44(38-57(50)61)63(46-36-53(40-18-6-3-7-19-40)60-54(37-46)52-33-30-41-20-12-13-25-47(41)59(52)64-60)45-32-35-51-49-27-15-17-29-56(49)62(58(51)39-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyNAQAQPDVZFTPEG-UHFFFAOYSA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-8-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 170674938
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675305
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160821142
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170674956
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 170239526) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)c4oc5c6ccccc6ccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is NAQAQPDVZFTPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)55-28-16-14-26-48(55)50-34-31-44(38-57(50)61)63(46-36-53(40-18-6-3-7-19-40)60-54(37-46)52-33-30-41-20-12-13-25-47(41)59(52)64-60)45-32-35-51-49-27-15-17-29-56(49)62(58(51)39-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 818.03 g/mol, XLogP of 16.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).