9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine

C55H53NS — CID 102292425

IUPAC9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
SMILESCCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1
InChIInChI=1S/C55H53NS/c1-7-53(8-2)43-27-20-19-26-40(43)47-50(53)49-42-32-30-39(56(37-22-15-13-16-23-37)38-24-17-14-18-25-38)35-45(42)55(11-5,12-6)52(49)48-41-31-29-36(46-28-21-33-57-46)34-44(41)54(9-3,10-4)51(47)48/h13-35H,7-12H2,1-6H3
InChIKeyCXADOTJISQSHEW-UHFFFAOYSA-N
MW760.10 g/mol
LogP16.14
Rot. Bonds10

About 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine

9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine (PubChem CID 102292425) has the molecular formula C55H53NS and a molecular weight of 760.10 g/mol. Its IUPAC name is 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine.

Molecular Properties

Compound Name9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
PubChem CID102292425
Molecular FormulaC55H53NS
Molecular Weight760.10 g/mol
Exact Mass759.39
IUPAC Name9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine
SMILESCCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1
InChIInChI=1S/C55H53NS/c1-7-53(8-2)43-27-20-19-26-40(43)47-50(53)49-42-32-30-39(56(37-22-15-13-16-23-37)38-24-17-14-18-25-38)35-45(42)55(11-5,12-6)52(49)48-41-31-29-36(46-28-21-33-57-46)34-44(41)54(9-3,10-4)51(47)48/h13-35H,7-12H2,1-6H3
InChIKeyCXADOTJISQSHEW-UHFFFAOYSA-N
XLogP16.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.10
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[9,9,18,18,27,27-hexahexyl-24-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-15-thiophen-2-yl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]thiophen-2-yl]-N,N-diphenylaniline
CID 139250441
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine
CID 23650746
9,9,18,18,27,27-hexaethyl-5-N,5-N,14-N,14-N,23-N,23-N-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14,23-triamine
CID 101441557
2-(9,9-dipropylfluoren-2-yl)thiophene
CID 129094201
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(3-thiophen-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 118049243
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
N,3-diphenyl-N-(3-phenylphenyl)aniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;2-phenyl-N,N-bis(2-phenylphenyl)aniline;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
CID 162252868
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine?
The IUPAC name of 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine (CID 102292425) is 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine.
What is the SMILES notation for 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine?
The canonical SMILES for 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine is CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(-c4cccs4)ccc2-3)C(CC)(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1.
What is the InChIKey of 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine?
The InChIKey is CXADOTJISQSHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53NS/c1-7-53(8-2)43-27-20-19-26-40(43)47-50(53)49-42-32-30-39(56(37-22-15-13-16-23-37)38-24-17-14-18-25-38)35-45(42)55(11-5,12-6)52(49)48-41-31-29-36(46-28-21-33-57-46)34-44(41)54(9-3,10-4)51(47)48/h13-35H,7-12H2,1-6H3.
What are the key properties of 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine?
9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine has a molecular weight of 760.10 g/mol, XLogP of 16.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,18,18,27,27-hexaethyl-N,N-diphenyl-15-thiophen-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaen-6-amine is sourced from PubChem (CID 102292425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).