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

C55H39NO18 — CID 144999314

IUPAC6-[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
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)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/C55H39NO18/c57-37-31(33-41(61)49(69)53(73)50(70)42(33)62)38(58)46(66)35(45(37)65)56(36-47(67)39(59)32(40(60)48(36)68)34-43(63)51(71)54(74)52(72)44(34)64)26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)55(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,57-74H
InChIKeyNHKNPFVEPVWKRV-UHFFFAOYSA-N
MW1001.91 g/mol
LogP9.22
Rot. Bonds8

About 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

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 (PubChem CID 144999314) has the molecular formula C55H39NO18 and a molecular weight of 1001.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID144999314
Molecular FormulaC55H39NO18
Molecular Weight1001.91 g/mol
Exact Mass1001.22
IUPAC Name6-[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
SMILESOc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)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/C55H39NO18/c57-37-31(33-41(61)49(69)53(73)50(70)42(33)62)38(58)46(66)35(45(37)65)56(36-47(67)39(59)32(40(60)48(36)68)34-43(63)51(71)54(74)52(72)44(34)64)26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)55(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,57-74H
InChIKeyNHKNPFVEPVWKRV-UHFFFAOYSA-N
XLogP9.22
TPSA367.38 Ų
H-Bond Donors18
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001001.91
LogP ≤ 59.22
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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1c(O)c(O)c(-c2c(O)c(O)c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)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-[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?
The InChIKey is NHKNPFVEPVWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO18/c57-37-31(33-41(61)49(69)53(73)50(70)42(33)62)38(58)46(66)35(45(37)65)56(36-47(67)39(59)32(40(60)48(36)68)34-43(63)51(71)54(74)52(72)44(34)64)26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)55(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,57-74H.
What are the key properties of 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?
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 has a molecular weight of 1001.91 g/mol, XLogP of 9.22, 8 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-[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 is sourced from PubChem (CID 144999314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).