N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine

C58H38N2O2 — CID 170369754

IUPACN-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESC1=Cc2cccc(-c3ccc4c(c3)c3c(-c5ccccc5)c5c(cc3n4-c3ccc(N(c4ccccc4)c4ccc6c(c4)oc4ccccc46)cc3)oc3ccccc35)c2CC1
InChIInChI=1S/C58H38N2O2/c1-3-15-38(16-4-1)56-57-49-34-39(45-23-13-17-37-14-7-8-20-44(37)45)26-33-50(49)60(51(57)36-55-58(56)48-22-10-12-25-53(48)62-55)42-29-27-41(28-30-42)59(40-18-5-2-6-19-40)43-31-32-47-46-21-9-11-24-52(46)61-54(47)35-43/h1-7,9-19,21-36H,8,20H2
InChIKeyCMQYFEYHRWEOEP-UHFFFAOYSA-N
MW794.95 g/mol
LogP16.35
Rot. Bonds6

About N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine

N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 170369754) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID170369754
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC NameN-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESC1=Cc2cccc(-c3ccc4c(c3)c3c(-c5ccccc5)c5c(cc3n4-c3ccc(N(c4ccccc4)c4ccc6c(c4)oc4ccccc46)cc3)oc3ccccc35)c2CC1
InChIInChI=1S/C58H38N2O2/c1-3-15-38(16-4-1)56-57-49-34-39(45-23-13-17-37-14-7-8-20-44(37)45)26-33-50(49)60(51(57)36-55-58(56)48-22-10-12-25-53(48)62-55)42-29-27-41(28-30-42)59(40-18-5-2-6-19-40)43-31-32-47-46-21-9-11-24-52(46)61-54(47)35-43/h1-7,9-19,21-36H,8,20H2
InChIKeyCMQYFEYHRWEOEP-UHFFFAOYSA-N
XLogP16.35
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline
CID 170177912
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
CID 170369758
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine (CID 170369754) is N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine is C1=Cc2cccc(-c3ccc4c(c3)c3c(-c5ccccc5)c5c(cc3n4-c3ccc(N(c4ccccc4)c4ccc6c(c4)oc4ccccc46)cc3)oc3ccccc35)c2CC1.
What is the InChIKey of N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is CMQYFEYHRWEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-3-15-38(16-4-1)56-57-49-34-39(45-23-13-17-37-14-7-8-20-44(37)45)26-33-50(49)60(51(57)36-55-58(56)48-22-10-12-25-53(48)62-55)42-29-27-41(28-30-42)59(40-18-5-2-6-19-40)43-31-32-47-46-21-9-11-24-52(46)61-54(47)35-43/h1-7,9-19,21-36H,8,20H2.
What are the key properties of N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 794.95 g/mol, XLogP of 16.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 170369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).