N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine

C58H41NO — CID 171401773

IUPACN-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5oc6ccc(-c7ccccc7)cc6c35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-29-17-15-27-44(48)45-33-32-43(36-50(45)57)59(42-25-13-6-14-26-42)56-54-46-28-16-18-30-49(46)58(40-21-9-4-10-22-40,41-23-11-5-12-24-41)51(54)37-53-55(56)47-35-39(31-34-52(47)60-53)38-19-7-3-8-20-38/h3-37H,1-2H3
InChIKeyCXCWNSOOBMGWEL-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.39
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine

N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine (PubChem CID 171401773) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
PubChem CID171401773
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5oc6ccc(-c7ccccc7)cc6c35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-29-17-15-27-44(48)45-33-32-43(36-50(45)57)59(42-25-13-6-14-26-42)56-54-46-28-16-18-30-49(46)58(40-21-9-4-10-22-40,41-23-11-5-12-24-41)51(54)37-53-55(56)47-35-39(31-34-52(47)60-53)38-19-7-3-8-20-38/h3-37H,1-2H3
InChIKeyCXCWNSOOBMGWEL-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine with MolForge

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Related Compounds

7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171402122
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine
CID 171401927
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
N,N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7,12,12-triphenylindeno[2,1-b]fluoren-5-amine
CID 171401761
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7,7-triphenylfluoreno[2,3-b][1]benzothiol-12-amine
CID 171402184

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine (CID 171401773) is N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5oc6ccc(-c7ccccc7)cc6c35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine?
The InChIKey is CXCWNSOOBMGWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-29-17-15-27-44(48)45-33-32-43(36-50(45)57)59(42-25-13-6-14-26-42)56-54-46-28-16-18-30-49(46)58(40-21-9-4-10-22-40,41-23-11-5-12-24-41)51(54)37-53-55(56)47-35-39(31-34-52(47)60-53)38-19-7-3-8-20-38/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine?
N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine has a molecular weight of 767.97 g/mol, XLogP of 15.39, 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,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine is sourced from PubChem (CID 171401773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).