7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C109H72Br3ClN4S4 — CID 158101946

IUPAC7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESBrc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc12.Brc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(Br)ccc23)c1.Clc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3c2c2ccccc12
InChIInChI=1S/C32H20ClNS.C28H18BrNS.C25H18BrNS.C24H16BrNS/c33-27-19-29-31(25-17-9-7-15-23(25)27)32-26-18-10-8-16-24(26)28(20-30(32)35-29)34(21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-21-11-14-25-26-15-13-24(18-28(26)31-27(25)17-21)30(22-8-2-1-3-9-22)23-12-10-19-6-4-5-7-20(19)16-23;1-17-6-5-9-20(14-17)27(19-7-3-2-4-8-19)21-11-13-23-22-12-10-18(26)15-24(22)28-25(23)16-21;25-17-11-13-21-22-14-12-20(16-24(22)27-23(21)15-17)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-20H;1-18H;2-16H,1H3;1-16H
InChIKeyFPJHJWRJJRNUNV-UHFFFAOYSA-N
MW1841.24 g/mol
LogP36.81
Rot. Bonds12

About 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 158101946) has the molecular formula C109H72Br3ClN4S4 and a molecular weight of 1841.24 g/mol. Its IUPAC name is 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound Name7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID158101946
Molecular FormulaC109H72Br3ClN4S4
Molecular Weight1841.24 g/mol
Exact Mass1836.19
IUPAC Name7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESBrc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc12.Brc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(Br)ccc23)c1.Clc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3c2c2ccccc12
InChIInChI=1S/C32H20ClNS.C28H18BrNS.C25H18BrNS.C24H16BrNS/c33-27-19-29-31(25-17-9-7-15-23(25)27)32-26-18-10-8-16-24(26)28(20-30(32)35-29)34(21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-21-11-14-25-26-15-13-24(18-28(26)31-27(25)17-21)30(22-8-2-1-3-9-22)23-12-10-19-6-4-5-7-20(19)16-23;1-17-6-5-9-20(14-17)27(19-7-3-2-4-8-19)21-11-13-23-22-12-10-18(26)15-24(22)28-25(23)16-21;25-17-11-13-21-22-14-12-20(16-24(22)27-23(21)15-17)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-20H;1-18H;2-16H,1H3;1-16H
InChIKeyFPJHJWRJJRNUNV-UHFFFAOYSA-N
XLogP36.81
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001841.24
LogP ≤ 536.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

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Related Compounds

5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158747098
5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane
CID 161270733
8-bromo-N,N-diphenyldibenzothiophen-2-amine;8-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-2-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine;5-chloro-N-dibenzothiophen-2-yl-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine;5-chloro-N,N-diphenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 161433165
9-N,15-N-bis(3-methylphenyl)-9-N,15-N-diphenyl-6-[2-[4-(N-[15-(N-(4-propan-2-ylphenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]propyl]-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine
CID 155082756
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122634272
1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 59575239
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134471585
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 158101946) is 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is Brc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc12.Brc1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(Br)ccc23)c1.Clc1cc2sc3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3c2c2ccccc12.
What is the InChIKey of 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is FPJHJWRJJRNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClNS.C28H18BrNS.C25H18BrNS.C24H16BrNS/c33-27-19-29-31(25-17-9-7-15-23(25)27)32-26-18-10-8-16-24(26)28(20-30(32)35-29)34(21-11-3-1-4-12-21)22-13-5-2-6-14-22;29-21-11-14-25-26-15-13-24(18-28(26)31-27(25)17-21)30(22-8-2-1-3-9-22)23-12-10-19-6-4-5-7-20(19)16-23;1-17-6-5-9-20(14-17)27(19-7-3-2-4-8-19)21-11-13-23-22-12-10-18(26)15-24(22)28-25(23)16-21;25-17-11-13-21-22-14-12-20(16-24(22)27-23(21)15-17)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-20H;1-18H;2-16H,1H3;1-16H.
What are the key properties of 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 1841.24 g/mol, XLogP of 36.81, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,N-diphenyldibenzothiophen-3-amine;7-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-3-amine;7-bromo-N-naphthalen-2-yl-N-phenyldibenzothiophen-3-amine;15-chloro-N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 158101946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).