4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one

C44H38N4O — CID 135242495

IUPAC4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one
SMILESCC(C)N1c2ccccc2C2(c3ccccc3-c3cc(CC(C)n4c5ccccc5c(=O)c5cccc(N)c54)ccc32)c2cccc(N)c21
InChIInChI=1S/C44H38N4O/c1-26(2)47-40-21-9-7-16-35(40)44(36-17-11-19-38(46)42(36)47)33-15-6-4-12-29(33)32-25-28(22-23-34(32)44)24-27(3)48-39-20-8-5-13-30(39)43(49)31-14-10-18-37(45)41(31)48/h4-23,25-27H,24,45-46H2,1-3H3
InChIKeyAZTVAGUOZCBUBO-UHFFFAOYSA-N
MW638.82 g/mol
LogP9.35
Rot. Bonds4

About 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one

4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one (PubChem CID 135242495) has the molecular formula C44H38N4O and a molecular weight of 638.82 g/mol. Its IUPAC name is 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one.

Molecular Properties

Compound Name4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one
PubChem CID135242495
Molecular FormulaC44H38N4O
Molecular Weight638.82 g/mol
Exact Mass638.30
IUPAC Name4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one
SMILESCC(C)N1c2ccccc2C2(c3ccccc3-c3cc(CC(C)n4c5ccccc5c(=O)c5cccc(N)c54)ccc32)c2cccc(N)c21
InChIInChI=1S/C44H38N4O/c1-26(2)47-40-21-9-7-16-35(40)44(36-17-11-19-38(46)42(36)47)33-15-6-4-12-29(33)32-25-28(22-23-34(32)44)24-27(3)48-39-20-8-5-13-30(39)43(49)31-14-10-18-37(45)41(31)48/h4-23,25-27H,24,45-46H2,1-3H3
InChIKeyAZTVAGUOZCBUBO-UHFFFAOYSA-N
XLogP9.35
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.82
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
9,9-diphenyl-10-propan-2-ylacridine
CID 134577995
2-phenyl-5-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl-1,3,4-thiadiazole
CID 166995832
5-phenylspiro[1,5-diazaoctacyclo[14.11.1.13,26.02,14.04,12.06,11.020,28.022,27]nonacosa-2(14),3,6,8,10,12,16(28),17,19,22,24,26-dodecaene-21,9'-fluorene]-15,29-dione
CID 169078152
4'-[4,5-bis(10-ethylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-9-yl]-10-ethylspiro[acridine-9,9'-fluorene]
CID 155334962
10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine
CID 155333853
2'-ethyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-furo[3,2-b]quinoline]
CID 163846275
9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine
CID 155334465
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(10-methyl-9,9-diphenylacridin-4-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
CID 155333923
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
3',6'-di(carbazol-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 167177349
3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
CID 158758240

Frequently Asked Questions

What is the IUPAC name of 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one?
The IUPAC name of 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one (CID 135242495) is 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one.
What is the SMILES notation for 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one?
The canonical SMILES for 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one is CC(C)N1c2ccccc2C2(c3ccccc3-c3cc(CC(C)n4c5ccccc5c(=O)c5cccc(N)c54)ccc32)c2cccc(N)c21.
What is the InChIKey of 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one?
The InChIKey is AZTVAGUOZCBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N4O/c1-26(2)47-40-21-9-7-16-35(40)44(36-17-11-19-38(46)42(36)47)33-15-6-4-12-29(33)32-25-28(22-23-34(32)44)24-27(3)48-39-20-8-5-13-30(39)43(49)31-14-10-18-37(45)41(31)48/h4-23,25-27H,24,45-46H2,1-3H3.
What are the key properties of 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one?
4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one has a molecular weight of 638.82 g/mol, XLogP of 9.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-10-[1-(4-amino-10-propan-2-ylspiro[acridine-9,9'-fluorene]-3'-yl)propan-2-yl]acridin-9-one is sourced from PubChem (CID 135242495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).