2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline

C61H39NO — CID 122537211

IUPAC2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C34c5ccccc5-c5cccc(c53)-c3cc(-c5ccc6c(c5)oc5ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-14-40(15-4-1)42-26-32-46(33-27-42)62(47-34-28-43(29-35-47)41-16-5-2-6-17-41)57-24-11-10-23-56(57)61-54-22-9-7-18-48(54)51-20-13-21-52(60(51)61)53-38-44(31-37-55(53)61)45-30-36-50-49-19-8-12-25-58(49)63-59(50)39-45/h1-39H
InChIKeyQGFOALGPICNFKA-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds7

About 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline

2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 122537211) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID122537211
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC Name2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C34c5ccccc5-c5cccc(c53)-c3cc(-c5ccc6c(c5)oc5ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C61H39NO/c1-3-14-40(15-4-1)42-26-32-46(33-27-42)62(47-34-28-43(29-35-47)41-16-5-2-6-17-41)57-24-11-10-23-56(57)61-54-22-9-7-18-48(54)51-20-13-21-52(60(51)61)53-38-44(31-37-55(53)61)45-30-36-50-49-19-8-12-25-58(49)63-59(50)39-45/h1-39H
InChIKeyQGFOALGPICNFKA-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-1-amine
CID 130260682
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170666319
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline (CID 122537211) is 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C34c5ccccc5-c5cccc(c53)-c3cc(-c5ccc6c(c5)oc5ccccc56)ccc34)cc2)cc1.
What is the InChIKey of 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is QGFOALGPICNFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-14-40(15-4-1)42-26-32-46(33-27-42)62(47-34-28-43(29-35-47)41-16-5-2-6-17-41)57-24-11-10-23-56(57)61-54-22-9-7-18-48(54)51-20-13-21-52(60(51)61)53-38-44(31-37-55(53)61)45-30-36-50-49-19-8-12-25-58(49)63-59(50)39-45/h1-39H.
What are the key properties of 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline?
2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 801.99 g/mol, XLogP of 16.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 122537211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).