3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

C204H136N6O3 — CID 163474764

IUPAC3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H48N2O.2C66H44N2O/c1-3-16-49(17-4-1)51-30-36-57(37-31-51)73(58-38-32-52(33-39-58)50-18-5-2-6-19-50)61-44-56(69-46-55-21-8-10-24-65(55)66-25-11-12-26-67(66)69)45-62(47-61)74(60-42-43-72-70(48-60)68-27-13-14-29-71(68)75-72)59-40-34-54(35-41-59)64-28-15-22-53-20-7-9-23-63(53)64;1-3-16-45(17-4-1)47-30-34-52(35-31-47)67(53-36-32-48(33-37-53)46-18-5-2-6-19-46)55-40-51(62-42-50-21-8-9-23-57(50)59-25-11-12-26-60(59)62)41-56(43-55)68(64-28-15-22-49-20-7-10-24-58(49)64)54-38-39-66-63(44-54)61-27-13-14-29-65(61)69-66;1-3-15-45(16-4-1)48-27-32-53(33-28-48)67(54-34-29-49(30-35-54)46-17-5-2-6-18-46)57-40-52(63-42-51-21-9-10-22-59(51)60-23-11-12-24-61(60)63)41-58(43-57)68(55-36-31-47-19-7-8-20-50(47)39-55)56-37-38-66-64(44-56)62-25-13-14-26-65(62)69-66/h1-48H;2*1-44H
InChIKeyBZNIYSKLMDQPJK-UHFFFAOYSA-N
MW2719.37 g/mol
LogP58.63
Rot. Bonds28

About 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 163474764) has the molecular formula C204H136N6O3 and a molecular weight of 2719.37 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
PubChem CID163474764
Molecular FormulaC204H136N6O3
Molecular Weight2719.37 g/mol
Exact Mass2717.07
IUPAC Name3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H48N2O.2C66H44N2O/c1-3-16-49(17-4-1)51-30-36-57(37-31-51)73(58-38-32-52(33-39-58)50-18-5-2-6-19-50)61-44-56(69-46-55-21-8-10-24-65(55)66-25-11-12-26-67(66)69)45-62(47-61)74(60-42-43-72-70(48-60)68-27-13-14-29-71(68)75-72)59-40-34-54(35-41-59)64-28-15-22-53-20-7-9-23-63(53)64;1-3-16-45(17-4-1)47-30-34-52(35-31-47)67(53-36-32-48(33-37-53)46-18-5-2-6-19-46)55-40-51(62-42-50-21-8-9-23-57(50)59-25-11-12-26-60(59)62)41-56(43-55)68(64-28-15-22-49-20-7-10-24-58(49)64)54-38-39-66-63(44-54)61-27-13-14-29-65(61)69-66;1-3-15-45(16-4-1)48-27-32-53(33-28-48)67(54-34-29-49(30-35-54)46-17-5-2-6-18-46)57-40-52(63-42-51-21-9-10-22-59(51)60-23-11-12-24-61(60)63)41-58(43-57)68(55-36-31-47-19-7-8-20-50(47)39-55)56-37-38-66-64(44-56)62-25-13-14-26-65(62)69-66/h1-48H;2*1-44H
InChIKeyBZNIYSKLMDQPJK-UHFFFAOYSA-N
XLogP58.63
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002719.37
LogP ≤ 558.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 162770448
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 162770482
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (CID 163474764) is 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is BZNIYSKLMDQPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2O.2C66H44N2O/c1-3-16-49(17-4-1)51-30-36-57(37-31-51)73(58-38-32-52(33-39-58)50-18-5-2-6-19-50)61-44-56(69-46-55-21-8-10-24-65(55)66-25-11-12-26-67(66)69)45-62(47-61)74(60-42-43-72-70(48-60)68-27-13-14-29-71(68)75-72)59-40-34-54(35-41-59)64-28-15-22-53-20-7-9-23-63(53)64;1-3-16-45(17-4-1)47-30-34-52(35-31-47)67(53-36-32-48(33-37-53)46-18-5-2-6-19-46)55-40-51(62-42-50-21-8-9-23-57(50)59-25-11-12-26-60(59)62)41-56(43-55)68(64-28-15-22-49-20-7-10-24-58(49)64)54-38-39-66-63(44-54)61-27-13-14-29-65(61)69-66;1-3-15-45(16-4-1)48-27-32-53(33-28-48)67(54-34-29-49(30-35-54)46-17-5-2-6-18-46)57-40-52(63-42-51-21-9-10-22-59(51)60-23-11-12-24-61(60)63)41-58(43-57)68(55-36-31-47-19-7-8-20-50(47)39-55)56-37-38-66-64(44-56)62-25-13-14-26-65(62)69-66/h1-48H;2*1-44H.
What are the key properties of 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 2719.37 g/mol, XLogP of 58.63, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 163474764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).