2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine

C74H48N2O2 — CID 89254671

IUPAC2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)51-35-39-53(40-36-51)71-59-45-43-58(76(56-25-11-4-12-26-56)66-30-18-34-70-74(66)62-28-14-16-32-68(62)78-70)48-64(59)72(54-41-37-52(38-42-54)50-21-7-2-8-22-50)60-46-44-57(47-63(60)71)75(55-23-9-3-10-24-55)65-29-17-33-69-73(65)61-27-13-15-31-67(61)77-69/h1-48H
InChIKeyHJBJJBTTWKQWBU-UHFFFAOYSA-N
MW997.21 g/mol
LogP21.40
Rot. Bonds10

About 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine

2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 89254671) has the molecular formula C74H48N2O2 and a molecular weight of 997.21 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID89254671
Molecular FormulaC74H48N2O2
Molecular Weight997.21 g/mol
Exact Mass996.37
IUPAC Name2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)51-35-39-53(40-36-51)71-59-45-43-58(76(56-25-11-4-12-26-56)66-30-18-34-70-74(66)62-28-14-16-32-68(62)78-70)48-64(59)72(54-41-37-52(38-42-54)50-21-7-2-8-22-50)60-46-44-57(47-63(60)71)75(55-23-9-3-10-24-55)65-29-17-33-69-73(65)61-27-13-15-31-67(61)77-69/h1-48H
InChIKeyHJBJJBTTWKQWBU-UHFFFAOYSA-N
XLogP21.40
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.21
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-[4-(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-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine (CID 89254671) is 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc34)cc2)cc1.
What is the InChIKey of 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is HJBJJBTTWKQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)51-35-39-53(40-36-51)71-59-45-43-58(76(56-25-11-4-12-26-56)66-30-18-34-70-74(66)62-28-14-16-32-68(62)78-70)48-64(59)72(54-41-37-52(38-42-54)50-21-7-2-8-22-50)60-46-44-57(47-63(60)71)75(55-23-9-3-10-24-55)65-29-17-33-69-73(65)61-27-13-15-31-67(61)77-69/h1-48H.
What are the key properties of 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 997.21 g/mol, XLogP of 21.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 89254671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).