17-naphthalen-2-yl-N,N-bis(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-16-amine

C54H35NO — CID 171433523

IUPAC17-naphthalen-2-yl-N,N-bis(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-16-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5ccccc5c4)ccc4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)39-25-29-43(30-26-39)55(44-31-27-40(28-32-44)37-15-5-2-6-16-37)53-45(42-24-23-38-17-7-8-18-41(38)35-42)33-34-50-52(53)51-48-21-11-9-19-46(48)47-20-10-12-22-49(47)54(51)56-50/h1-35H
InChIKeyCNIGDTGYDXWGRJ-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About 17-naphthalen-2-yl-N,N-bis(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-16-amine

17-naphthalen-2-yl-N,N-bis(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-16-amine (PubChem CID 171433523) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 17-naphthalen-2-yl-N,N-bis(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-16-amine.

Molecular Properties

Compound Name17-naphthalen-2-yl-N,N-bis(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-16-amine
PubChem CID171433523
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC Name17-naphthalen-2-yl-N,N-bis(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-16-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5ccccc5c4)ccc4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)39-25-29-43(30-26-39)55(44-31-27-40(28-32-44)37-15-5-2-6-16-37)53-45(42-24-23-38-17-7-8-18-41(38)35-42)33-34-50-52(53)51-48-21-11-9-19-46(48)47-20-10-12-22-49(47)54(51)56-50/h1-35H
InChIKeyCNIGDTGYDXWGRJ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-naphthalen-2-yl-N,N-bis(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-16-amine with MolForge

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Related Compounds

N-[4-(18-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-17-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 171433171
N-(4-dibenzofuran-4-ylphenyl)-17-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-16-amine
CID 171433045
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(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-16-amine
CID 171433310
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171434796
N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170535752
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-(2-naphthalen-2-ylnaphthalen-1-yl)-N-phenyldibenzofuran-2-amine
CID 176587535
9,9-dimethyl-N-[4-(16-naphthalen-2-yl-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-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433044
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919372

Frequently Asked Questions

What is the IUPAC name of 17-naphthalen-2-yl-N,N-bis(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-16-amine?
The IUPAC name of 17-naphthalen-2-yl-N,N-bis(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-16-amine (CID 171433523) is 17-naphthalen-2-yl-N,N-bis(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-16-amine.
What is the SMILES notation for 17-naphthalen-2-yl-N,N-bis(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-16-amine?
The canonical SMILES for 17-naphthalen-2-yl-N,N-bis(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-16-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccc5ccccc5c4)ccc4oc5c6ccccc6c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 17-naphthalen-2-yl-N,N-bis(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-16-amine?
The InChIKey is CNIGDTGYDXWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-13-36(14-4-1)39-25-29-43(30-26-39)55(44-31-27-40(28-32-44)37-15-5-2-6-16-37)53-45(42-24-23-38-17-7-8-18-41(38)35-42)33-34-50-52(53)51-48-21-11-9-19-46(48)47-20-10-12-22-49(47)54(51)56-50/h1-35H.
What are the key properties of 17-naphthalen-2-yl-N,N-bis(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-16-amine?
17-naphthalen-2-yl-N,N-bis(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-16-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-naphthalen-2-yl-N,N-bis(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-16-amine is sourced from PubChem (CID 171433523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).