2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione

C58H53NO2 — CID 58175010

IUPAC2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESCC(C)C1(C(C)C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)C)(C(C)C)c3ccccc3-4)c3ccc4cc(C=C5C(=O)c6ccccc6C5=O)ccc4c3)cc21
InChIInChI=1S/C58H53NO2/c1-34(2)57(35(3)4)51-19-13-11-15-44(51)46-27-25-42(32-53(46)57)59(43-26-28-47-45-16-12-14-20-52(45)58(36(5)6,37(7)8)54(47)33-43)41-24-23-39-29-38(21-22-40(39)31-41)30-50-55(60)48-17-9-10-18-49(48)56(50)61/h9-37H,1-8H3
InChIKeySZLMVMSBJJXDBP-UHFFFAOYSA-N
MW796.07 g/mol
LogP14.93
Rot. Bonds8

About 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione

2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione (PubChem CID 58175010) has the molecular formula C58H53NO2 and a molecular weight of 796.07 g/mol. Its IUPAC name is 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione
PubChem CID58175010
Molecular FormulaC58H53NO2
Molecular Weight796.07 g/mol
Exact Mass795.41
IUPAC Name2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESCC(C)C1(C(C)C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)C)(C(C)C)c3ccccc3-4)c3ccc4cc(C=C5C(=O)c6ccccc6C5=O)ccc4c3)cc21
InChIInChI=1S/C58H53NO2/c1-34(2)57(35(3)4)51-19-13-11-15-44(51)46-27-25-42(32-53(46)57)59(43-26-28-47-45-16-12-14-20-52(45)58(36(5)6,37(7)8)54(47)33-43)41-24-23-39-29-38(21-22-40(39)31-41)30-50-55(60)48-17-9-10-18-49(48)56(50)61/h9-37H,1-8H3
InChIKeySZLMVMSBJJXDBP-UHFFFAOYSA-N
XLogP14.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(N-(9,9-dimethylfluoren-2-yl)-2,4,6-trimethylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175046
2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 161266677
2-[[6-[7-[(1,3-dioxoinden-2-ylidene)methyl]-9,9-dimethylfluoren-2-yl]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 170366098
2-[[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 51348392
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine
CID 158356298
10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one
CID 155653986
2-[[9,9-di(propan-2-yl)-10-(2,4,6-trimethylphenyl)acridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 155430014
2-[[6-(4-phenyl-N-(2,4,6-trimethylphenyl)anilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175017
2-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]indene-1,3-dione
CID 20617859
4-[[5-[5-[4-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
CID 76609759
7-[(E)-2-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246385
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione (CID 58175010) is 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione is CC(C)C1(C(C)C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)C)(C(C)C)c3ccccc3-4)c3ccc4cc(C=C5C(=O)c6ccccc6C5=O)ccc4c3)cc21.
What is the InChIKey of 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione?
The InChIKey is SZLMVMSBJJXDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53NO2/c1-34(2)57(35(3)4)51-19-13-11-15-44(51)46-27-25-42(32-53(46)57)59(43-26-28-47-45-16-12-14-20-52(45)58(36(5)6,37(7)8)54(47)33-43)41-24-23-39-29-38(21-22-40(39)31-41)30-50-55(60)48-17-9-10-18-49(48)56(50)61/h9-37H,1-8H3.
What are the key properties of 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione?
2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione has a molecular weight of 796.07 g/mol, XLogP of 14.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 58175010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).