N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine

C58H43NO — CID 139551229

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5oc6ccccc6c5c5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H43NO/c1-57(2)50-23-13-10-19-43(50)45-28-26-39(33-52(45)57)59(40-27-29-46-44-20-11-14-24-51(44)58(3,4)53(46)34-40)41-31-37(36-16-6-5-7-17-36)30-38(32-41)49-35-55-56(47-21-9-8-18-42(47)49)48-22-12-15-25-54(48)60-55/h5-35H,1-4H3
InChIKeyTXEVMLBCCLWYHV-UHFFFAOYSA-N
MW769.99 g/mol
LogP16.16
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine (PubChem CID 139551229) has the molecular formula C58H43NO and a molecular weight of 769.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine
PubChem CID139551229
Molecular FormulaC58H43NO
Molecular Weight769.99 g/mol
Exact Mass769.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5oc6ccccc6c5c5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H43NO/c1-57(2)50-23-13-10-19-43(50)45-28-26-39(33-52(45)57)59(40-27-29-46-44-20-11-14-24-51(44)58(3,4)53(46)34-40)41-31-37(36-16-6-5-7-17-36)30-38(32-41)49-35-55-56(47-21-9-8-18-42(47)49)48-22-12-15-25-54(48)60-55/h5-35H,1-4H3
InChIKeyTXEVMLBCCLWYHV-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 176808413
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
9,9-dimethyl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 170667736
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine (CID 139551229) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5oc6ccccc6c5c5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine?
The InChIKey is TXEVMLBCCLWYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NO/c1-57(2)50-23-13-10-19-43(50)45-28-26-39(33-52(45)57)59(40-27-29-46-44-20-11-14-24-51(44)58(3,4)53(46)34-40)41-31-37(36-16-6-5-7-17-36)30-38(32-41)49-35-55-56(47-21-9-8-18-42(47)49)48-22-12-15-25-54(48)60-55/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine has a molecular weight of 769.99 g/mol, XLogP of 16.16, 5 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)-9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-5-yl-5-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 139551229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).