N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine

C52H33NO — CID 176587643

IUPACN-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine
SMILESc1ccc(N(c2ccc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)c2ccc3c4ccccc4c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C52H33NO/c1-2-16-37(17-3-1)53(39-30-32-44-43-20-8-9-21-46(43)52-51(48(44)33-39)47-22-10-11-24-49(47)54-52)38-28-25-36(26-29-38)50-41-19-7-5-14-35(41)27-31-45(50)42-23-12-15-34-13-4-6-18-40(34)42/h1-33H
InChIKeyMOBBKZHOEIGVKI-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine

N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine (PubChem CID 176587643) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine.

Molecular Properties

Compound NameN-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine
PubChem CID176587643
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine
SMILESc1ccc(N(c2ccc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)c2ccc3c4ccccc4c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C52H33NO/c1-2-16-37(17-3-1)53(39-30-32-44-43-20-8-9-21-46(43)52-51(48(44)33-39)47-22-10-11-24-49(47)54-52)38-28-25-36(26-29-38)50-41-19-7-5-14-35(41)27-31-45(50)42-23-12-15-34-13-4-6-18-40(34)42/h1-33H
InChIKeyMOBBKZHOEIGVKI-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
CID 167277575
4-[4-(6-naphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N,N-diphenylaniline
CID 170535954
3-N-[3-[N-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-3-(2-phenylphenyl)anilino]phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171417099
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
1-N-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-1-N,2-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 171416978
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170134279
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine?
The IUPAC name of N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine (CID 176587643) is N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine.
What is the SMILES notation for N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine?
The canonical SMILES for N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine is c1ccc(N(c2ccc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)c2ccc3c4ccccc4c4oc5ccccc5c4c3c2)cc1.
What is the InChIKey of N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine?
The InChIKey is MOBBKZHOEIGVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-16-37(17-3-1)53(39-30-32-44-43-20-8-9-21-46(43)52-51(48(44)33-39)47-22-10-11-24-49(47)54-52)38-28-25-36(26-29-38)50-41-19-7-5-14-35(41)27-31-45(50)42-23-12-15-34-13-4-6-18-40(34)42/h1-33H.
What are the key properties of N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine?
N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-amine is sourced from PubChem (CID 176587643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).