N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine

C64H49NO — CID 155105505

IUPACN-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H49NO/c1-2-14-46(15-3-1)62-60(61-57-22-10-7-19-53(57)54-20-8-11-23-58(54)63(61)66-62)45-25-29-48(30-26-45)65(49-31-27-47(28-32-49)64-38-41-35-42(39-64)37-43(36-41)40-64)59-34-33-55(52-18-6-9-21-56(52)59)51-24-12-16-44-13-4-5-17-50(44)51/h1-34,41-43H,35-40H2
InChIKeyIVQHUSNWMWQAMF-UHFFFAOYSA-N
MW848.10 g/mol
LogP17.98
Rot. Bonds7

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

N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine (PubChem CID 155105505) has the molecular formula C64H49NO and a molecular weight of 848.10 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine
PubChem CID155105505
Molecular FormulaC64H49NO
Molecular Weight848.10 g/mol
Exact Mass847.38
IUPAC NameN-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H49NO/c1-2-14-46(15-3-1)62-60(61-57-22-10-7-19-53(57)54-20-8-11-23-58(54)63(61)66-62)45-25-29-48(30-26-45)65(49-31-27-47(28-32-49)64-38-41-35-42(39-64)37-43(36-41)40-64)59-34-33-55(52-18-6-9-21-56(52)59)51-24-12-16-44-13-4-5-17-50(44)51/h1-34,41-43H,35-40H2
InChIKeyIVQHUSNWMWQAMF-UHFFFAOYSA-N
XLogP17.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.10
LogP ≤ 517.98
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-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 130197529
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 155105614
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 155105732
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
CID 155105507
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
CID 58340453
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
CID 164768042

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine (CID 155105505) is N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine is c1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine?
The InChIKey is IVQHUSNWMWQAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NO/c1-2-14-46(15-3-1)62-60(61-57-22-10-7-19-53(57)54-20-8-11-23-58(54)63(61)66-62)45-25-29-48(30-26-45)65(49-31-27-47(28-32-49)64-38-41-35-42(39-64)37-43(36-41)40-64)59-34-33-55(52-18-6-9-21-56(52)59)51-24-12-16-44-13-4-5-17-50(44)51/h1-34,41-43H,35-40H2.
What are the key properties of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine?
N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine has a molecular weight of 848.10 g/mol, XLogP of 17.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 155105505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).