6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol

C48H33NO18 — CID 144999368

IUPAC6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(O)c(O)c(-c4c(O)c(O)c(O)c(O)c4O)c(O)c3O)c(O)c2O)c(O)c1O
InChIInChI=1S/C48H33NO18/c50-31-25(27-35(54)43(62)47(66)44(63)36(27)55)32(51)40(59)29(39(31)58)49(30-41(60)33(52)26(34(53)42(30)61)28-37(56)45(64)48(67)46(65)38(28)57)18-12-9-16(10-13-18)17-11-14-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)24(23)15-17/h1-15,50-67H
InChIKeyNBBYCRGZQCAGOK-UHFFFAOYSA-N
MW911.78 g/mol
LogP8.32
Rot. Bonds6

About 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol

6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 144999368) has the molecular formula C48H33NO18 and a molecular weight of 911.78 g/mol. Its IUPAC name is 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol
PubChem CID144999368
Molecular FormulaC48H33NO18
Molecular Weight911.78 g/mol
Exact Mass911.17
IUPAC Name6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(O)c(O)c(-c4c(O)c(O)c(O)c(O)c4O)c(O)c3O)c(O)c2O)c(O)c1O
InChIInChI=1S/C48H33NO18/c50-31-25(27-35(54)43(62)47(66)44(63)36(27)55)32(51)40(59)29(39(31)58)49(30-41(60)33(52)26(34(53)42(30)61)28-37(56)45(64)48(67)46(65)38(28)57)18-12-9-16(10-13-18)17-11-14-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)24(23)15-17/h1-15,50-67H
InChIKeyNBBYCRGZQCAGOK-UHFFFAOYSA-N
XLogP8.32
TPSA367.38 Ų
H-Bond Donors18
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500911.78
LogP ≤ 58.32
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol with MolForge

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Related Compounds

6-[2,3,5,6-tetrahydroxy-4-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)-N-(7,9,9-triphenylfluoren-2-yl)anilino]phenyl]benzene-1,2,3,4,5-pentol
CID 144999314
2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol
CID 88935473
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
4-[26,44-bis[4-(N-phenylanilino)phenyl]-3,18,21,36,39,54-hexazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11,13,15,18,20,22(35),23(28),24,26,29,31,33,36,38,40(53),41(46),42,44,47,49,51-heptacosaen-8-yl]-N,N-diphenylaniline
CID 102314208
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063649

Frequently Asked Questions

What is the IUPAC name of 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol (CID 144999368) is 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(O)c(O)c(-c4c(O)c(O)c(O)c(O)c4O)c(O)c3O)c(O)c2O)c(O)c1O.
What is the InChIKey of 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is NBBYCRGZQCAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO18/c50-31-25(27-35(54)43(62)47(66)44(63)36(27)55)32(51)40(59)29(39(31)58)49(30-41(60)33(52)26(34(53)42(30)61)28-37(56)45(64)48(67)46(65)38(28)57)18-12-9-16(10-13-18)17-11-14-23-21-7-2-1-5-19(21)20-6-3-4-8-22(20)24(23)15-17/h1-15,50-67H.
What are the key properties of 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol?
6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 911.78 g/mol, XLogP of 8.32, 6 rotatable bonds, 18 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 144999368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).