5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

C73H46N2S2 — CID 121430725

IUPAC5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESc1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3sc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C73H46N2S2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63/h1-46H
InChIKeyRBMTXVCKSXOTQB-UHFFFAOYSA-N
MW1015.32 g/mol
LogP21.18
Rot. Bonds8

About 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (PubChem CID 121430725) has the molecular formula C73H46N2S2 and a molecular weight of 1015.32 g/mol. Its IUPAC name is 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.

Molecular Properties

Compound Name5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
PubChem CID121430725
Molecular FormulaC73H46N2S2
Molecular Weight1015.32 g/mol
Exact Mass1014.31
IUPAC Name5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESc1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3sc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C73H46N2S2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63/h1-46H
InChIKeyRBMTXVCKSXOTQB-UHFFFAOYSA-N
XLogP21.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.32
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine with MolForge

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Related Compounds

N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
CID 140962610
5-N,17-N-di(dibenzothiophen-4-yl)-25,25-dimethyl-5-N,17-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,17-diamine
CID 121431423
5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 160555614
N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 169062004
5-N,16-N-di(dibenzothiophen-4-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633739
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
5-N-dibenzothiophen-4-yl-8,8-dimethyl-5-N,16-N,20-triphenyl-16-N-(6-phenyldibenzothiophen-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633744
N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
CID 167184430
N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
CID 144613701
N,N-diphenyl-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464973
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
3-[dibenzothiophen-4-yl-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)amino]benzonitrile
CID 144614681

Frequently Asked Questions

What is the IUPAC name of 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The IUPAC name of 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (CID 121430725) is 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.
What is the SMILES notation for 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The canonical SMILES for 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3sc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The InChIKey is RBMTXVCKSXOTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2S2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63/h1-46H.
What are the key properties of 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine has a molecular weight of 1015.32 g/mol, XLogP of 21.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is sourced from PubChem (CID 121430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).