6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol

C60H56N2O10Si2 — CID 163729778

IUPAC6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2cc3c4ccccc4c(N(c4ccc(C5C(O)=C(O)C(O)=C(O)C5O)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C60H56N2O10Si2/c1-73(2,3)39-27-23-37(24-28-39)61(35-19-15-33(16-20-35)49-51(63)55(67)59(71)56(68)52(49)64)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)62(38-25-29-40(30-26-38)74(4,5)6)36-21-17-34(18-22-36)50-53(65)57(69)60(72)58(70)54(50)66/h7-32,49,51,63-72H,1-6H3
InChIKeyKYPVMOBFUVLJMK-UHFFFAOYSA-N
MW1021.28 g/mol
LogP13.48
Rot. Bonds10

About 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol

6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 163729778) has the molecular formula C60H56N2O10Si2 and a molecular weight of 1021.28 g/mol. Its IUPAC name is 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
PubChem CID163729778
Molecular FormulaC60H56N2O10Si2
Molecular Weight1021.28 g/mol
Exact Mass1020.35
IUPAC Name6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2cc3c4ccccc4c(N(c4ccc(C5C(O)=C(O)C(O)=C(O)C5O)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C60H56N2O10Si2/c1-73(2,3)39-27-23-37(24-28-39)61(35-19-15-33(16-20-35)49-51(63)55(67)59(71)56(68)52(49)64)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)62(38-25-29-40(30-26-38)74(4,5)6)36-21-17-34(18-22-36)50-53(65)57(69)60(72)58(70)54(50)66/h7-32,49,51,63-72H,1-6H3
InChIKeyKYPVMOBFUVLJMK-UHFFFAOYSA-N
XLogP13.48
TPSA208.78 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001021.28
LogP ≤ 513.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol with MolForge

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Related Compounds

6-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098960
6-N,12-N-bis(3,5-diethylphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098957
6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
CID 158607233
4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263126
N,N-bis(4-trimethylsilylphenyl)-4-[10-[3-[10-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]aniline
CID 59194308
6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-triphenylsilylphenyl)chrysene-6,12-diamine
CID 140926347
N-[4-[4-(9,9-dimethyl-3-phenylfluoren-4-yl)phenyl]phenyl]-N-(4-trimethylsilylphenyl)phenanthren-9-amine
CID 165158340
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[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 140862634
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
CID 58722457

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol (CID 163729778) is 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol is C[Si](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2cc3c4ccccc4c(N(c4ccc(C5C(O)=C(O)C(O)=C(O)C5O)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1.
What is the InChIKey of 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is KYPVMOBFUVLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N2O10Si2/c1-73(2,3)39-27-23-37(24-28-39)61(35-19-15-33(16-20-35)49-51(63)55(67)59(71)56(68)52(49)64)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)62(38-25-29-40(30-26-38)74(4,5)6)36-21-17-34(18-22-36)50-53(65)57(69)60(72)58(70)54(50)66/h7-32,49,51,63-72H,1-6H3.
What are the key properties of 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?
6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 1021.28 g/mol, XLogP of 13.48, 10 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-[12-[4-(2,3,4,5,6-pentahydroxycyclohexa-2,4-dien-1-yl)-N-(4-trimethylsilylphenyl)anilino]chrysen-6-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163729778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).