N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine

C64H41NO — CID 155105614

IUPACN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2oc3c4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)ccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H41NO/c1-3-17-45(18-4-1)61-62-58-28-14-12-26-55(58)56-39-34-47(40-59(56)64(62)66-63(61)46-19-5-2-6-20-46)42-30-35-49(36-31-42)65(60-41-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)50-37-32-44(33-38-50)52-29-15-22-43-16-7-9-23-51(43)52/h1-41H
InChIKeyPUDIPHZXBJMZLC-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine (PubChem CID 155105614) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
PubChem CID155105614
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2oc3c4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)ccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H41NO/c1-3-17-45(18-4-1)61-62-58-28-14-12-26-55(58)56-39-34-47(40-59(56)64(62)66-63(61)46-19-5-2-6-20-46)42-30-35-49(36-31-42)65(60-41-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)50-37-32-44(33-38-50)52-29-15-22-43-16-7-9-23-51(43)52/h1-41H
InChIKeyPUDIPHZXBJMZLC-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 155105732
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-9-amine
CID 169064165
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 170399211
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine (CID 155105614) is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine is c1ccc(-c2oc3c4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)ccc4c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The InChIKey is PUDIPHZXBJMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-17-45(18-4-1)61-62-58-28-14-12-26-55(58)56-39-34-47(40-59(56)64(62)66-63(61)46-19-5-2-6-20-46)42-30-35-49(36-31-42)65(60-41-48-21-8-10-24-53(48)54-25-11-13-27-57(54)60)50-37-32-44(33-38-50)52-29-15-22-43-16-7-9-23-51(43)52/h1-41H.
What are the key properties of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155105614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).