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

C53H39NO — CID 170406779

IUPAC5-(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
SMILESCC1(C)c2ccc(C3=Cc4ccccc4CC3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C53H39NO/c1-53(2)46-30-29-39(38-28-27-35-17-9-10-18-36(35)31-38)33-45(46)49-50(53)43-24-12-11-23-42(43)48-44-25-14-26-47(51(44)55-52(48)49)54(40-20-7-4-8-21-40)41-22-13-19-37(32-41)34-15-5-3-6-16-34/h3-26,29-33H,27-28H2,1-2H3
InChIKeyPCKMKPNRZLQNET-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.67
Rot. Bonds5

About 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

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 (PubChem CID 170406779) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID170406779
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC Name5-(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
SMILESCC1(C)c2ccc(C3=Cc4ccccc4CC3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C53H39NO/c1-53(2)46-30-29-39(38-28-27-35-17-9-10-18-36(35)31-38)33-45(46)49-50(53)43-24-12-11-23-42(43)48-44-25-14-26-47(51(44)55-52(48)49)54(40-20-7-4-8-21-40)41-22-13-19-37(32-41)34-15-5-3-6-16-34/h3-26,29-33H,27-28H2,1-2H3
InChIKeyPCKMKPNRZLQNET-UHFFFAOYSA-N
XLogP14.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
22-(3,4-dihydronaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18(23),19,21-decaen-5-amine
CID 170407070
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-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N,21-diphenyl-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-4-amine
CID 170406529
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-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 170406125
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(C3=Cc4ccccc4CC3)cc2-c2c1c1ccccc1c1c2oc2c(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cccc21.
What is the InChIKey of 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?
The InChIKey is PCKMKPNRZLQNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-53(2)46-30-29-39(38-28-27-35-17-9-10-18-36(35)31-38)33-45(46)49-50(53)43-24-12-11-23-42(43)48-44-25-14-26-47(51(44)55-52(48)49)54(40-20-7-4-8-21-40)41-22-13-19-37(32-41)34-15-5-3-6-16-34/h3-26,29-33H,27-28H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 705.90 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170406779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).