N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine

C66H41NO2 — CID 170133889

IUPACN-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C66H41NO2/c1-4-18-53-47(13-1)38-49(39-61(53)60-24-12-23-59-57-22-8-10-26-64(57)69-66(59)60)43-29-34-51(35-30-43)67(62-40-48-14-2-3-17-52(48)54-19-5-6-20-55(54)62)50-32-27-42(28-33-50)44-15-11-16-45(37-44)46-31-36-58-56-21-7-9-25-63(56)68-65(58)41-46/h1-41H
InChIKeyXKBBKWZLZLTYMW-UHFFFAOYSA-N
MW880.06 g/mol
LogP19.08
Rot. Bonds7

About N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine

N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine (PubChem CID 170133889) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
PubChem CID170133889
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C66H41NO2/c1-4-18-53-47(13-1)38-49(39-61(53)60-24-12-23-59-57-22-8-10-26-64(57)69-66(59)60)43-29-34-51(35-30-43)67(62-40-48-14-2-3-17-52(48)54-19-5-6-20-55(54)62)50-32-27-42(28-33-50)44-15-11-16-45(37-44)46-31-36-58-56-21-7-9-25-63(56)68-65(58)41-46/h1-41H
InChIKeyXKBBKWZLZLTYMW-UHFFFAOYSA-N
XLogP19.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134182
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170133722
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-[4-[4-[4-[3-[6-[4-[4-(4-carbazol-9-ylnaphthalen-2-yl)-N-phenanthren-9-ylanilino]phenyl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]naphthalen-2-yl]phenyl]-N-[4-[7-[6-[3-[4-(4-dibenzofuran-4-yl-N-phenanthren-9-ylanilino)phenyl]naphthalen-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]phenanthren-9-amine
CID 170134174
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
N-naphthalen-1-yl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]phenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546
N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 164958899

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine (CID 170133889) is N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine is c1cc(-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)c5ccccc5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is XKBBKWZLZLTYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-4-18-53-47(13-1)38-49(39-61(53)60-24-12-23-59-57-22-8-10-26-64(57)69-66(59)60)43-29-34-51(35-30-43)67(62-40-48-14-2-3-17-52(48)54-19-5-6-20-55(54)62)50-32-27-42(28-33-50)44-15-11-16-45(37-44)46-31-36-58-56-21-7-9-25-63(56)68-65(58)41-46/h1-41H.
What are the key properties of N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine?
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 880.06 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).