5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine

C58H48N4 — CID 144588707

IUPAC5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine
SMILESC=CC1=C(/C=C\C)c2ccc(N3CCN(c4ccc5c(c4)C4(C(/C=C\C)=C(CC)c6ccccc64)c4ccccc4-5)c4ncncc43)cc2C12C1=C(CCC=C1)c1ccccc12
InChIInChI=1S/C58H48N4/c1-5-17-40-45-29-27-37(33-53(45)57(47(40)8-4)50-24-14-10-20-42(50)43-21-11-15-25-51(43)57)61-31-32-62(56-55(61)35-59-36-60-56)38-28-30-46-44-22-12-16-26-52(44)58(54(46)34-38)48(18-6-2)39(7-3)41-19-9-13-23-49(41)58/h5-6,8-10,12-20,22-30,33-36H,4,7,11,21,31-32H2,1-3H3/b17-5-,18-6-
InChIKeyKDNMKIBNXLNMHM-OYUQAUEZSA-N
MW801.05 g/mol
LogP13.77
Rot. Bonds6

About 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine

5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine (PubChem CID 144588707) has the molecular formula C58H48N4 and a molecular weight of 801.05 g/mol. Its IUPAC name is 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine.

Molecular Properties

Compound Name5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine
PubChem CID144588707
Molecular FormulaC58H48N4
Molecular Weight801.05 g/mol
Exact Mass800.39
IUPAC Name5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine
SMILESC=CC1=C(/C=C\C)c2ccc(N3CCN(c4ccc5c(c4)C4(C(/C=C\C)=C(CC)c6ccccc64)c4ccccc4-5)c4ncncc43)cc2C12C1=C(CCC=C1)c1ccccc12
InChIInChI=1S/C58H48N4/c1-5-17-40-45-29-27-37(33-53(45)57(47(40)8-4)50-24-14-10-20-42(50)43-21-11-15-25-51(43)57)61-31-32-62(56-55(61)35-59-36-60-56)38-28-30-46-44-22-12-16-26-52(44)58(54(46)34-38)48(18-6-2)39(7-3)41-19-9-13-23-49(41)58/h5-6,8-10,12-20,22-30,33-36H,4,7,11,21,31-32H2,1-3H3/b17-5-,18-6-
InChIKeyKDNMKIBNXLNMHM-OYUQAUEZSA-N
XLogP13.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine 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

1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline
CID 89071414
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145092830
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine
CID 138493657
3'-ethyl-7-methyl-2'-[(Z)-prop-1-enyl]spiro[2,3-dihydrofluorene-9,1'-indene];1-methyl-2-phenylbenzene;1,1,2,6-tetramethyl-3-[(Z)-prop-1-enyl]indene
CID 144979759

Frequently Asked Questions

What is the IUPAC name of 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine?
The IUPAC name of 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine (CID 144588707) is 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine.
What is the SMILES notation for 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine?
The canonical SMILES for 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine is C=CC1=C(/C=C\C)c2ccc(N3CCN(c4ccc5c(c4)C4(C(/C=C\C)=C(CC)c6ccccc64)c4ccccc4-5)c4ncncc43)cc2C12C1=C(CCC=C1)c1ccccc12.
What is the InChIKey of 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine?
The InChIKey is KDNMKIBNXLNMHM-OYUQAUEZSA-N. The full InChI is InChI=1S/C58H48N4/c1-5-17-40-45-29-27-37(33-53(45)57(47(40)8-4)50-24-14-10-20-42(50)43-21-11-15-25-51(43)57)61-31-32-62(56-55(61)35-59-36-60-56)38-28-30-46-44-22-12-16-26-52(44)58(54(46)34-38)48(18-6-2)39(7-3)41-19-9-13-23-49(41)58/h5-6,8-10,12-20,22-30,33-36H,4,7,11,21,31-32H2,1-3H3/b17-5-,18-6-.
What are the key properties of 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine?
5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine has a molecular weight of 801.05 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2'-ethenyl-1'-[(Z)-prop-1-enyl]spiro[3,4-dihydrofluorene-9,3'-indene]-5'-yl]-8-[3'-ethyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-yl]-6,7-dihydropteridine is sourced from PubChem (CID 144588707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).