N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine

C43H25NS — CID 156664688

IUPACN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H25NS/c1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27/h1-25H
InChIKeyCJYHXAMPZDNYKV-UHFFFAOYSA-N
MW587.75 g/mol
LogP11.85
Rot. Bonds3

About N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine

N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine (PubChem CID 156664688) has the molecular formula C43H25NS and a molecular weight of 587.75 g/mol. Its IUPAC name is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine
PubChem CID156664688
Molecular FormulaC43H25NS
Molecular Weight587.75 g/mol
Exact Mass587.17
IUPAC NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H25NS/c1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27/h1-25H
InChIKeyCJYHXAMPZDNYKV-UHFFFAOYSA-N
XLogP11.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine with MolForge

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Related Compounds

3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
2-N'-dibenzothiophen-3-yl-2-N'-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791324
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-phenyl-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463393
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
9,9-dimethyl-N-phenyl-N-(3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzothiole]-1-ylphenyl)fluoren-2-amine
CID 130380178
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480

Frequently Asked Questions

What is the IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine (CID 156664688) is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is CJYHXAMPZDNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NS/c1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27/h1-25H.
What are the key properties of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine?
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 587.75 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 156664688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).