N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine

C49H33NO — CID 171401514

IUPACN,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
SMILESc1ccc(-c2ccc3c(c2)-c2c(cc4oc5ccccc5c4c2N(c2ccccc2)c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H33NO/c1-6-18-34(19-7-1)35-30-31-42-41(32-35)46-43(49(42,36-20-8-2-9-21-36)37-22-10-3-11-23-37)33-45-47(40-28-16-17-29-44(40)51-45)48(46)50(38-24-12-4-13-25-38)39-26-14-5-15-27-39/h1-33H
InChIKeyMHWGSMQMILRTLA-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.09
Rot. Bonds6

About N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine

N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine (PubChem CID 171401514) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine.

Molecular Properties

Compound NameN,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
PubChem CID171401514
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
SMILESc1ccc(-c2ccc3c(c2)-c2c(cc4oc5ccccc5c4c2N(c2ccccc2)c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H33NO/c1-6-18-34(19-7-1)35-30-31-42-41(32-35)46-43(49(42,36-20-8-2-9-21-36)37-22-10-3-11-23-37)33-45-47(40-28-16-17-29-44(40)51-45)48(46)50(38-24-12-4-13-25-38)39-26-14-5-15-27-39/h1-33H
InChIKeyMHWGSMQMILRTLA-UHFFFAOYSA-N
XLogP13.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine with MolForge

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Related Compounds

7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401773
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401543
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156549425
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401856

Frequently Asked Questions

What is the IUPAC name of N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine?
The IUPAC name of N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine (CID 171401514) is N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine.
What is the SMILES notation for N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine?
The canonical SMILES for N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine is c1ccc(-c2ccc3c(c2)-c2c(cc4oc5ccccc5c4c2N(c2ccccc2)c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine?
The InChIKey is MHWGSMQMILRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-6-18-34(19-7-1)35-30-31-42-41(32-35)46-43(49(42,36-20-8-2-9-21-36)37-22-10-3-11-23-37)33-45-47(40-28-16-17-29-44(40)51-45)48(46)50(38-24-12-4-13-25-38)39-26-14-5-15-27-39/h1-33H.
What are the key properties of N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine?
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine has a molecular weight of 651.81 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine is sourced from PubChem (CID 171401514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).