4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine

C80H54N2O3 — CID 167270538

IUPAC4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine
SMILESC1=CC2c3cccc(N(C4=CC5c6cc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6OC5c5ccccc54)c4ccc(-c5ccccc5)cc4)c3OC2C(c2ccccc2)=C1
InChIInChI=1S/C80H54N2O3/c1-5-21-51(22-6-1)53-41-45-57(46-42-53)81(71-39-19-37-67-65-35-17-33-59(75(65)84-79(67)71)55-25-9-3-10-26-55)73-49-69-70-50-74(62-30-14-16-32-64(62)78(70)83-77(69)63-31-15-13-29-61(63)73)82(58-47-43-54(44-48-58)52-23-7-2-8-24-52)72-40-20-38-68-66-36-18-34-60(76(66)85-80(68)72)56-27-11-4-12-28-56/h1-50,65,69,75,77H
InChIKeyXQFCIVORWOEOHU-UHFFFAOYSA-N
MW1091.32 g/mol
LogP21.12
Rot. Bonds10

About 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine

4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine (PubChem CID 167270538) has the molecular formula C80H54N2O3 and a molecular weight of 1091.32 g/mol. Its IUPAC name is 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine.

Molecular Properties

Compound Name4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine
PubChem CID167270538
Molecular FormulaC80H54N2O3
Molecular Weight1091.32 g/mol
Exact Mass1090.41
IUPAC Name4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine
SMILESC1=CC2c3cccc(N(C4=CC5c6cc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6OC5c5ccccc54)c4ccc(-c5ccccc5)cc4)c3OC2C(c2ccccc2)=C1
InChIInChI=1S/C80H54N2O3/c1-5-21-51(22-6-1)53-41-45-57(46-42-53)81(71-39-19-37-67-65-35-17-33-59(75(65)84-79(67)71)55-25-9-3-10-26-55)73-49-69-70-50-74(62-30-14-16-32-64(62)78(70)83-77(69)63-31-15-13-29-61(63)73)82(58-47-43-54(44-48-58)52-23-7-2-8-24-52)72-40-20-38-68-66-36-18-34-60(76(66)85-80(68)72)56-27-11-4-12-28-56/h1-50,65,69,75,77H
InChIKeyXQFCIVORWOEOHU-UHFFFAOYSA-N
XLogP21.12
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.32
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3,5-dimethylphenyl)-1-N-[6-(4-ethyl-2,5-dimethylphenyl)dibenzofuran-4-yl]-6-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)pyrene-1,6-diamine
CID 144918623
N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline
CID 170294815
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
CID 122473560

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine?
The IUPAC name of 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine (CID 167270538) is 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine.
What is the SMILES notation for 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine?
The canonical SMILES for 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine is C1=CC2c3cccc(N(C4=CC5c6cc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6OC5c5ccccc54)c4ccc(-c5ccccc5)cc4)c3OC2C(c2ccccc2)=C1.
What is the InChIKey of 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine?
The InChIKey is XQFCIVORWOEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N2O3/c1-5-21-51(22-6-1)53-41-45-57(46-42-53)81(71-39-19-37-67-65-35-17-33-59(75(65)84-79(67)71)55-25-9-3-10-26-55)73-49-69-70-50-74(62-30-14-16-32-64(62)78(70)83-77(69)63-31-15-13-29-61(63)73)82(58-47-43-54(44-48-58)52-23-7-2-8-24-52)72-40-20-38-68-66-36-18-34-60(76(66)85-80(68)72)56-27-11-4-12-28-56/h1-50,65,69,75,77H.
What are the key properties of 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine?
4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine has a molecular weight of 1091.32 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine is sourced from PubChem (CID 167270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).