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

C49H33NO — CID 171401702

IUPACN,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c3c(cc4oc5ccccc5c24)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C49H33NO/c1-6-18-34(19-7-1)46-47-41-32-39(50(37-24-12-4-13-25-37)38-26-14-5-15-27-38)30-31-42(41)49(35-20-8-2-9-21-35,36-22-10-3-11-23-36)43(47)33-45-48(46)40-28-16-17-29-44(40)51-45/h1-33H
InChIKeyAIQYUFKAQDQGNQ-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.09
Rot. Bonds6

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

N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine (PubChem CID 171401702) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
PubChem CID171401702
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c3c(cc4oc5ccccc5c24)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C49H33NO/c1-6-18-34(19-7-1)46-47-41-32-39(50(37-24-12-4-13-25-37)38-26-14-5-15-27-38)30-31-42(41)49(35-20-8-2-9-21-35,36-22-10-3-11-23-36)43(47)33-45-48(46)40-28-16-17-29-44(40)51-45/h1-33H
InChIKeyAIQYUFKAQDQGNQ-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,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401856
N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401543
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514
N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
CID 171401609
7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170666333

Frequently Asked Questions

What is the IUPAC name of N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine?
The IUPAC name of N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine (CID 171401702) is N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine.
What is the SMILES notation for N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine?
The canonical SMILES for N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine is c1ccc(-c2c3c(cc4oc5ccccc5c24)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1.
What is the InChIKey of N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine?
The InChIKey is AIQYUFKAQDQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-6-18-34(19-7-1)46-47-41-32-39(50(37-24-12-4-13-25-37)38-26-14-5-15-27-38)30-31-42(41)49(35-20-8-2-9-21-35,36-22-10-3-11-23-36)43(47)33-45-48(46)40-28-16-17-29-44(40)51-45/h1-33H.
What are the key properties of N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine?
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-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,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine is sourced from PubChem (CID 171401702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).