N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine

C43H33NOS — CID 170406128

IUPACN-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine
SMILESCC1(C)c2ccccc2-c2c3c(c4ccccc4c21)C1C=CC=C(N(c2ccccc2)C2C=Cc4sc5ccccc5c4C2)C1O3
InChIInChI=1S/C43H33NOS/c1-43(2)34-20-10-8-18-31(34)39-40(43)30-17-7-6-16-29(30)38-32-19-12-21-35(41(32)45-42(38)39)44(26-13-4-3-5-14-26)27-23-24-37-33(25-27)28-15-9-11-22-36(28)46-37/h3-24,27,32,41H,25H2,1-2H3
InChIKeyKSYDAIDAPNXPQW-UHFFFAOYSA-N
MW611.81 g/mol
LogP10.80
Rot. Bonds3

About N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine

N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine (PubChem CID 170406128) has the molecular formula C43H33NOS and a molecular weight of 611.81 g/mol. Its IUPAC name is N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine.

Molecular Properties

Compound NameN-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine
PubChem CID170406128
Molecular FormulaC43H33NOS
Molecular Weight611.81 g/mol
Exact Mass611.23
IUPAC NameN-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine
SMILESCC1(C)c2ccccc2-c2c3c(c4ccccc4c21)C1C=CC=C(N(c2ccccc2)C2C=Cc4sc5ccccc5c4C2)C1O3
InChIInChI=1S/C43H33NOS/c1-43(2)34-20-10-8-18-31(34)39-40(43)30-17-7-6-16-29(30)38-32-19-12-21-35(41(32)45-42(38)39)44(26-13-4-3-5-14-26)27-23-24-37-33(25-27)28-15-9-11-22-36(28)46-37/h3-24,27,32,41H,25H2,1-2H3
InChIKeyKSYDAIDAPNXPQW-UHFFFAOYSA-N
XLogP10.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.81
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine with MolForge

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Related Compounds

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CID 170043689
N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170093583
6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine
CID 169280609
N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 163600891
N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
CID 166820063
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CID 164929371
2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575743
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)aniline
CID 170302328
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
CID 170412884
N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[6-(2-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 170140102
(2Z)-2-[2-[dibenzofuran-3-yl(1,2-dihydrodibenzothiophen-2-yl)amino]-5a,6-dihydroindolo[1,2-a]indol-11-ylidene]acetaldehyde
CID 148764054

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine?
The IUPAC name of N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine (CID 170406128) is N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine.
What is the SMILES notation for N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine?
The canonical SMILES for N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine is CC1(C)c2ccccc2-c2c3c(c4ccccc4c21)C1C=CC=C(N(c2ccccc2)C2C=Cc4sc5ccccc5c4C2)C1O3.
What is the InChIKey of N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine?
The InChIKey is KSYDAIDAPNXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NOS/c1-43(2)34-20-10-8-18-31(34)39-40(43)30-17-7-6-16-29(30)38-32-19-12-21-35(41(32)45-42(38)39)44(26-13-4-3-5-14-26)27-23-24-37-33(25-27)28-15-9-11-22-36(28)46-37/h3-24,27,32,41H,25H2,1-2H3.
What are the key properties of N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine?
N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine has a molecular weight of 611.81 g/mol, XLogP of 10.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine is sourced from PubChem (CID 170406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).