N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine

C35H23NO — CID 159372632

IUPACN,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
SMILESc1ccc(N(c2ccccc2)c2cc3c4ccc5c(c4oc3c3ccccc23)-c2ccccc2C5)cc1
InChIInChI=1S/C35H23NO/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)32-22-31-30-20-19-24-21-23-11-7-8-16-27(23)33(24)35(30)37-34(31)29-18-10-9-17-28(29)32/h1-20,22H,21H2
InChIKeyLJXWJMNGSDGVDH-UHFFFAOYSA-N
MW473.58 g/mol
LogP9.78
Rot. Bonds3

About N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine

N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine (PubChem CID 159372632) has the molecular formula C35H23NO and a molecular weight of 473.58 g/mol. Its IUPAC name is N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine.

Molecular Properties

Compound NameN,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
PubChem CID159372632
Molecular FormulaC35H23NO
Molecular Weight473.58 g/mol
Exact Mass473.18
IUPAC NameN,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
SMILESc1ccc(N(c2ccccc2)c2cc3c4ccc5c(c4oc3c3ccccc23)-c2ccccc2C5)cc1
InChIInChI=1S/C35H23NO/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)32-22-31-30-20-19-24-21-23-11-7-8-16-27(23)33(24)35(30)37-34(31)29-18-10-9-17-28(29)32/h1-20,22H,21H2
InChIKeyLJXWJMNGSDGVDH-UHFFFAOYSA-N
XLogP9.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine with MolForge

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Related Compounds

7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020
4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263126
4-N,20-N-bis(3-methylphenyl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263097
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
N-(9,9-dimethylfluoren-2-yl)-9,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167252457
6-naphthalen-1-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296361
6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 162217448
N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423471
8,10-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752030
N-(4-carbazol-9-ylphenyl)-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143326
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The IUPAC name of N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine (CID 159372632) is N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine.
What is the SMILES notation for N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The canonical SMILES for N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine is c1ccc(N(c2ccccc2)c2cc3c4ccc5c(c4oc3c3ccccc23)-c2ccccc2C5)cc1.
What is the InChIKey of N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
The InChIKey is LJXWJMNGSDGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)32-22-31-30-20-19-24-21-23-11-7-8-16-27(23)33(24)35(30)37-34(31)29-18-10-9-17-28(29)32/h1-20,22H,21H2.
What are the key properties of N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine?
N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine has a molecular weight of 473.58 g/mol, XLogP of 9.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine is sourced from PubChem (CID 159372632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).