N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine

C60H39NO — CID 155105546

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
SMILESc1ccc(-c2oc3c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-44(16-4-1)57-58-54-22-12-11-21-53(54)56-39-52(35-36-55(56)60(58)62-59(57)45-17-5-2-6-18-45)61(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H
InChIKeyRDIRXNUNDFGSEE-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine

N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine (PubChem CID 155105546) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
PubChem CID155105546
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
SMILESc1ccc(-c2oc3c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-44(16-4-1)57-58-54-22-12-11-21-53(54)56-39-52(35-36-55(56)60(58)62-59(57)45-17-5-2-6-18-45)61(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H
InChIKeyRDIRXNUNDFGSEE-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
6-N,9-N-dinaphthalen-1-yl-6-N,9-N,2,3-tetraphenylphenanthro[9,10-b]furan-6,9-diamine;N-naphthalen-2-yl-N-[4-[3-(4-phenylphenyl)benzo[f][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 158755626
N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063947
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433613

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine (CID 155105546) is N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine is c1ccc(-c2oc3c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine?
The InChIKey is RDIRXNUNDFGSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-44(16-4-1)57-58-54-22-12-11-21-53(54)56-39-52(35-36-55(56)60(58)62-59(57)45-17-5-2-6-18-45)61(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine?
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine is sourced from PubChem (CID 155105546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).