N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine

C58H36N2O4 — CID 138625016

IUPACN-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine
SMILESc1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C58H36N2O4/c1-3-15-38(16-4-1)59(41-31-33-45-43-19-9-11-23-49(43)61-53(45)35-41)40-29-27-37(28-30-40)55-47-21-7-8-22-48(47)56(58-57(55)63-51-25-13-14-26-52(51)64-58)60(39-17-5-2-6-18-39)42-32-34-46-44-20-10-12-24-50(44)62-54(46)36-42/h1-36H
InChIKeyRHNHEZVKUFLXKF-UHFFFAOYSA-N
MW824.94 g/mol
LogP17.14
Rot. Bonds7

About N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine

N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine (PubChem CID 138625016) has the molecular formula C58H36N2O4 and a molecular weight of 824.94 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine
PubChem CID138625016
Molecular FormulaC58H36N2O4
Molecular Weight824.94 g/mol
Exact Mass824.27
IUPAC NameN-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine
SMILESc1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C58H36N2O4/c1-3-15-38(16-4-1)59(41-31-33-45-43-19-9-11-23-49(43)61-53(45)35-41)40-29-27-37(28-30-40)55-47-21-7-8-22-48(47)56(58-57(55)63-51-25-13-14-26-52(51)64-58)60(39-17-5-2-6-18-39)42-32-34-46-44-20-10-12-24-50(44)62-54(46)36-42/h1-36H
InChIKeyRHNHEZVKUFLXKF-UHFFFAOYSA-N
XLogP17.14
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.94
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine
CID 138625015
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine?
The IUPAC name of N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine (CID 138625016) is N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine?
The canonical SMILES for N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine is c1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine?
The InChIKey is RHNHEZVKUFLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O4/c1-3-15-38(16-4-1)59(41-31-33-45-43-19-9-11-23-49(43)61-53(45)35-41)40-29-27-37(28-30-40)55-47-21-7-8-22-48(47)56(58-57(55)63-51-25-13-14-26-52(51)64-58)60(39-17-5-2-6-18-39)42-32-34-46-44-20-10-12-24-50(44)62-54(46)36-42/h1-36H.
What are the key properties of N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine?
N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine has a molecular weight of 824.94 g/mol, XLogP of 17.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine is sourced from PubChem (CID 138625016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).