10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine

C62H42N2O — CID 166900430

IUPAC10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c(c35)O4)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-4-15-43(16-5-1)46-29-36-51(37-30-46)63(52-38-31-47(32-39-52)44-17-6-2-7-18-44)57-27-14-28-59-61(57)55-25-12-23-50-35-42-58(62(65-59)60(50)55)64(56-26-13-22-49-21-10-11-24-54(49)56)53-40-33-48(34-41-53)45-19-8-3-9-20-45/h1-42H
InChIKeyFZAHPCATVCTQLH-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.71
Rot. Bonds9

About 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine

10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine (PubChem CID 166900430) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine.

Molecular Properties

Compound Name10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
PubChem CID166900430
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC Name10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c(c35)O4)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-4-15-43(16-5-1)46-29-36-51(37-30-46)63(52-38-31-47(32-39-52)44-17-6-2-7-18-44)57-27-14-28-59-61(57)55-25-12-23-50-35-42-58(62(65-59)60(50)55)64(56-26-13-22-49-21-10-11-24-54(49)56)53-40-33-48(34-41-53)45-19-8-3-9-20-45/h1-42H
InChIKeyFZAHPCATVCTQLH-UHFFFAOYSA-N
XLogP17.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine with MolForge

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Related Compounds

6-N,10-N-dinaphthalen-1-yl-6-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 166900661
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475
13-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
CID 176597789
4-N,4-N,10-N,10-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855597
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaen-6-amine
CID 162774392
N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine
CID 166900799
4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855786
5-N,5-N-diphenyl-10-N,10-N-bis[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855923
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaen-9-amine
CID 171757515
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine?
The IUPAC name of 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine (CID 166900430) is 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine.
What is the SMILES notation for 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine?
The canonical SMILES for 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c(c35)O4)cc2)cc1.
What is the InChIKey of 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine?
The InChIKey is FZAHPCATVCTQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-4-15-43(16-5-1)46-29-36-51(37-30-46)63(52-38-31-47(32-39-52)44-17-6-2-7-18-44)57-27-14-28-59-61(57)55-25-12-23-50-35-42-58(62(65-59)60(50)55)64(56-26-13-22-49-21-10-11-24-54(49)56)53-40-33-48(34-41-53)45-19-8-3-9-20-45/h1-42H.
What are the key properties of 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine?
10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine has a molecular weight of 831.03 g/mol, XLogP of 17.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine is sourced from PubChem (CID 166900430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).