9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine

C51H35NO — CID 170406781

IUPAC9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
SMILESCC1(C)c2ccc(-c3ccc4ccccc4c3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3ccc4ccccc4c3)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)44-28-26-37(36-24-23-32-13-6-8-15-34(32)29-36)31-43(44)47-48(51)41-20-11-10-19-40(41)46-42-21-12-22-45(49(42)53-50(46)47)52(38-17-4-3-5-18-38)39-27-25-33-14-7-9-16-35(33)30-39/h3-31H,1-2H3
InChIKeyJUVYKXVOMOKBJU-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.49
Rot. Bonds4

About 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine

9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine (PubChem CID 170406781) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
PubChem CID170406781
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
SMILESCC1(C)c2ccc(-c3ccc4ccccc4c3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3ccc4ccccc4c3)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)44-28-26-37(36-24-23-32-13-6-8-15-34(32)29-36)31-43(44)47-48(51)41-20-11-10-19-40(41)46-42-21-12-22-45(49(42)53-50(46)47)52(38-17-4-3-5-18-38)39-27-25-33-14-7-9-16-35(33)30-39/h3-31H,1-2H3
InChIKeyJUVYKXVOMOKBJU-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine with MolForge

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Related Compounds

5-(3,4-dihydronaphthalen-2-yl)-9,9-dimethyl-N-phenyl-N-(3-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406779
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
9,9-dimethyl-4-phenyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406461
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
9,9-dimethyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406222
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170412936
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 165059455
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine?
The IUPAC name of 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine (CID 170406781) is 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine.
What is the SMILES notation for 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine?
The canonical SMILES for 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine is CC1(C)c2ccc(-c3ccc4ccccc4c3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3ccc4ccccc4c3)cccc21.
What is the InChIKey of 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine?
The InChIKey is JUVYKXVOMOKBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)44-28-26-37(36-24-23-32-13-6-8-15-34(32)29-36)31-43(44)47-48(51)41-20-11-10-19-40(41)46-42-21-12-22-45(49(42)53-50(46)47)52(38-17-4-3-5-18-38)39-27-25-33-14-7-9-16-35(33)30-39/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine?
9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine has a molecular weight of 677.85 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine is sourced from PubChem (CID 170406781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).