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

C55H39NO — CID 170406461

IUPAC9,9-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
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2c1c1ccccc1c1c2oc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C55H39NO/c1-55(2)47-26-14-24-43(40-20-10-5-11-21-40)50(47)51-52(55)45-23-13-12-22-44(45)49-46-25-15-27-48(53(46)57-54(49)51)56(41-32-28-38(29-33-41)36-16-6-3-7-17-36)42-34-30-39(31-35-42)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyHPDAZBKJVALUOX-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About 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

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 (PubChem CID 170406461) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID170406461
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name9,9-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
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2c1c1ccccc1c1c2oc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C55H39NO/c1-55(2)47-26-14-24-43(40-20-10-5-11-21-40)50(47)51-52(55)45-23-13-12-22-44(45)49-46-25-15-27-48(53(46)57-54(49)51)56(41-32-28-38(29-33-41)36-16-6-3-7-17-36)42-34-30-39(31-35-42)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyHPDAZBKJVALUOX-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
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
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cccc(-c3ccccc3)c2-c2c1c1ccccc1c1c2oc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of 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?
The InChIKey is HPDAZBKJVALUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)47-26-14-24-43(40-20-10-5-11-21-40)50(47)51-52(55)45-23-13-12-22-44(45)49-46-25-15-27-48(53(46)57-54(49)51)56(41-32-28-38(29-33-41)36-16-6-3-7-17-36)42-34-30-39(31-35-42)37-18-8-4-9-19-37/h3-35H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 729.92 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 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 is sourced from PubChem (CID 170406461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).