N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C134H81N3O2S4 — CID 160931392

IUPACN-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4sc5c6ccccc6ccc5c4c3)c3cc4ccccc4c4c3sc3ccccc34)c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6cccc7ccc4c5c67)c3oc21
InChIInChI=1S/C46H29NOS.C44H25NOS.C44H27NS2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-44-41(29-36)38-13-6-7-16-43(38)48-44)42-15-8-14-39-40-27-23-34-11-4-5-12-37(34)45(40)49-46(39)42;1-2-10-31-26(7-1)17-21-34-33-12-6-13-38(44(33)46-43(31)34)45(30-20-24-40-36(25-30)32-11-3-4-14-39(32)47-40)37-23-19-29-16-15-27-8-5-9-28-18-22-35(37)42(29)41(27)28;1-2-11-28(12-3-1)30-15-10-16-32(25-30)45(33-22-24-41-38(27-33)36-23-21-29-13-4-7-18-35(29)43(36)46-41)39-26-31-14-5-6-17-34(31)42-37-19-8-9-20-40(37)47-44(39)42/h1-29H;1-25H;1-27H
InChIKeySTHVJJQYPGQFKM-UHFFFAOYSA-N
MW1893.41 g/mol
LogP41.25
Rot. Bonds12

About N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 160931392) has the molecular formula C134H81N3O2S4 and a molecular weight of 1893.41 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID160931392
Molecular FormulaC134H81N3O2S4
Molecular Weight1893.41 g/mol
Exact Mass1891.52
IUPAC NameN-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4sc5c6ccccc6ccc5c4c3)c3cc4ccccc4c4c3sc3ccccc34)c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6cccc7ccc4c5c67)c3oc21
InChIInChI=1S/C46H29NOS.C44H25NOS.C44H27NS2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-44-41(29-36)38-13-6-7-16-43(38)48-44)42-15-8-14-39-40-27-23-34-11-4-5-12-37(34)45(40)49-46(39)42;1-2-10-31-26(7-1)17-21-34-33-12-6-13-38(44(33)46-43(31)34)45(30-20-24-40-36(25-30)32-11-3-4-14-39(32)47-40)37-23-19-29-16-15-27-8-5-9-28-18-22-35(37)42(29)41(27)28;1-2-11-28(12-3-1)30-15-10-16-32(25-30)45(33-22-24-41-38(27-33)36-23-21-29-13-4-7-18-35(29)43(36)46-41)39-26-31-14-5-6-17-34(31)42-37-19-8-9-20-40(37)47-44(39)42/h1-29H;1-25H;1-27H
InChIKeySTHVJJQYPGQFKM-UHFFFAOYSA-N
XLogP41.25
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001893.41
LogP ≤ 541.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine with MolForge

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Related Compounds

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164959601
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998655
N-(4-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 118616293
N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165024092
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
CID 160979130
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 161104445
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine
CID 169293392

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 160931392) is N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4sc5c6ccccc6ccc5c4c3)c3cc4ccccc4c4c3sc3ccccc34)c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6cccc7ccc4c5c67)c3oc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is STHVJJQYPGQFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS.C44H25NOS.C44H27NS2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-44-41(29-36)38-13-6-7-16-43(38)48-44)42-15-8-14-39-40-27-23-34-11-4-5-12-37(34)45(40)49-46(39)42;1-2-10-31-26(7-1)17-21-34-33-12-6-13-38(44(33)46-43(31)34)45(30-20-24-40-36(25-30)32-11-3-4-14-39(32)47-40)37-23-19-29-16-15-27-8-5-9-28-18-22-35(37)42(29)41(27)28;1-2-11-28(12-3-1)30-15-10-16-32(25-30)45(33-22-24-41-38(27-33)36-23-21-29-13-4-7-18-35(29)43(36)46-41)39-26-31-14-5-6-17-34(31)42-37-19-8-9-20-40(37)47-44(39)42/h1-29H;1-25H;1-27H.
What are the key properties of N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 1893.41 g/mol, XLogP of 41.25, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 160931392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).