1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol

C82H100N10O4S3 — CID 21058894

IUPAC1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3cc(N(CC)CC)ccc3-c3ccc(N(CC)CC)cc32)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5cc(N(CC)CC)ccc5-c5ccc(N(CC)CC)cc54)cc3)cc2)c1
InChIInChI=1S/C82H100N10O4S3/c1-13-87(14-2)59-29-41-71-72-42-30-60(88(15-3)16-4)46-76(72)81(75(71)45-59)85-83-51-57-25-27-63(91(21-9)22-10)49-79(57)95-53-65(93)55-97-67-33-37-69(38-34-67)99-70-39-35-68(36-40-70)98-56-66(94)54-96-80-50-64(92(23-11)24-12)28-26-58(80)52-84-86-82-77-47-61(89(17-5)18-6)31-43-73(77)74-44-32-62(48-78(74)82)90(19-7)20-8/h25-52,65-66,93-94H,13-24,53-56H2,1-12H3/b83-51+,84-52+
InChIKeyRIQDEMCIKGVLKY-CSFOZNTOSA-N
MW1385.97 g/mol
LogP17.68
Rot. Bonds36

About 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol

1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol (PubChem CID 21058894) has the molecular formula C82H100N10O4S3 and a molecular weight of 1385.97 g/mol. Its IUPAC name is 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
PubChem CID21058894
Molecular FormulaC82H100N10O4S3
Molecular Weight1385.97 g/mol
Exact Mass1384.71
IUPAC Name1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3cc(N(CC)CC)ccc3-c3ccc(N(CC)CC)cc32)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5cc(N(CC)CC)ccc5-c5ccc(N(CC)CC)cc54)cc3)cc2)c1
InChIInChI=1S/C82H100N10O4S3/c1-13-87(14-2)59-29-41-71-72-42-30-60(88(15-3)16-4)46-76(72)81(75(71)45-59)85-83-51-57-25-27-63(91(21-9)22-10)49-79(57)95-53-65(93)55-97-67-33-37-69(38-34-67)99-70-39-35-68(36-40-70)98-56-66(94)54-96-80-50-64(92(23-11)24-12)28-26-58(80)52-84-86-82-77-47-61(89(17-5)18-6)31-43-73(77)74-44-32-62(48-78(74)82)90(19-7)20-8/h25-52,65-66,93-94H,13-24,53-56H2,1-12H3/b83-51+,84-52+
InChIKeyRIQDEMCIKGVLKY-CSFOZNTOSA-N
XLogP17.68
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.97
LogP ≤ 517.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol (CID 21058894) is 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol is CCN(CC)c1ccc(/C=N/N=C2c3cc(N(CC)CC)ccc3-c3ccc(N(CC)CC)cc32)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5cc(N(CC)CC)ccc5-c5ccc(N(CC)CC)cc54)cc3)cc2)c1.
What is the InChIKey of 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The InChIKey is RIQDEMCIKGVLKY-CSFOZNTOSA-N. The full InChI is InChI=1S/C82H100N10O4S3/c1-13-87(14-2)59-29-41-71-72-42-30-60(88(15-3)16-4)46-76(72)81(75(71)45-59)85-83-51-57-25-27-63(91(21-9)22-10)49-79(57)95-53-65(93)55-97-67-33-37-69(38-34-67)99-70-39-35-68(36-40-70)98-56-66(94)54-96-80-50-64(92(23-11)24-12)28-26-58(80)52-84-86-82-77-47-61(89(17-5)18-6)31-43-73(77)74-44-32-62(48-78(74)82)90(19-7)20-8/h25-52,65-66,93-94H,13-24,53-56H2,1-12H3/b83-51+,84-52+.
What are the key properties of 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol has a molecular weight of 1385.97 g/mol, XLogP of 17.68, 36 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-3-[4-[4-[3-[2-[(E)-[[2,7-bis(diethylamino)fluoren-9-ylidene]hydrazinylidene]methyl]-5-(diethylamino)phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 21058894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).