N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine

C46H29NO2 — CID 165037570

IUPACN,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6ccccc6c6c7ccccc7oc6c5c34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-26-34(27-23-32)47(35-28-24-33(25-29-35)31-14-5-2-6-15-31)39-19-11-21-41-43(39)44-45(49-41)37-17-8-7-16-36(37)42-38-18-9-10-20-40(38)48-46(42)44/h1-29H
InChIKeyPQRQZIIJVZLTJK-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine

N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine (PubChem CID 165037570) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
PubChem CID165037570
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6ccccc6c6c7ccccc7oc6c5c34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-26-34(27-23-32)47(35-28-24-33(25-29-35)31-14-5-2-6-15-31)39-19-11-21-41-43(39)44-45(49-41)37-17-8-7-16-36(37)42-38-18-9-10-20-40(38)48-46(42)44/h1-29H
InChIKeyPQRQZIIJVZLTJK-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine with MolForge

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Related Compounds

6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 169280658
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine
CID 165103732
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(3,5-diphenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260395

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine (CID 165037570) is N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6ccccc6c6c7ccccc7oc6c5c34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine?
The InChIKey is PQRQZIIJVZLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-26-34(27-23-32)47(35-28-24-33(25-29-35)31-14-5-2-6-15-31)39-19-11-21-41-43(39)44-45(49-41)37-17-8-7-16-36(37)42-38-18-9-10-20-40(38)48-46(42)44/h1-29H.
What are the key properties of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine?
N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine is sourced from PubChem (CID 165037570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).