N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine

C61H45NO2 — CID 146658952

IUPACN-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC=C(/C=C\C1=C(C)C2(C(/C=C\C)=C(C)Oc3ccccc32)c2ccccc21)N(c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C61H45NO2/c1-5-19-49-41(4)63-57-31-15-12-27-52(57)60(49)40(3)44(46-23-8-10-25-50(46)60)36-34-39(2)62(56-30-18-21-42-20-6-7-22-45(42)56)43-35-37-48-47-24-9-11-26-51(47)61(55(48)38-43)53-28-13-16-32-58(53)64-59-33-17-14-29-54(59)61/h5-38H,2H2,1,3-4H3/b19-5-,36-34-
InChIKeyXVRFLHAAEPFPAX-ZLNKXHEBSA-N
MW824.04 g/mol
LogP15.53
Rot. Bonds6

About N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 146658952) has the molecular formula C61H45NO2 and a molecular weight of 824.04 g/mol. Its IUPAC name is N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID146658952
Molecular FormulaC61H45NO2
Molecular Weight824.04 g/mol
Exact Mass823.35
IUPAC NameN-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC=C(/C=C\C1=C(C)C2(C(/C=C\C)=C(C)Oc3ccccc32)c2ccccc21)N(c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C61H45NO2/c1-5-19-49-41(4)63-57-31-15-12-27-52(57)60(49)40(3)44(46-23-8-10-25-50(46)60)36-34-39(2)62(56-30-18-21-42-20-6-7-22-45(42)56)43-35-37-48-47-24-9-11-26-51(47)61(55(48)38-43)53-28-13-16-32-58(53)64-59-33-17-14-29-54(59)61/h5-38H,2H2,1,3-4H3/b19-5-,36-34-
InChIKeyXVRFLHAAEPFPAX-ZLNKXHEBSA-N
XLogP15.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine
CID 155238185
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
CID 144663241
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
2-N'-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenepent-2-enyl]-7-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 166894459
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 146658952) is N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine is C=C(/C=C\C1=C(C)C2(C(/C=C\C)=C(C)Oc3ccccc32)c2ccccc21)N(c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2)c1cccc2ccccc12.
What is the InChIKey of N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is XVRFLHAAEPFPAX-ZLNKXHEBSA-N. The full InChI is InChI=1S/C61H45NO2/c1-5-19-49-41(4)63-57-31-15-12-27-52(57)60(49)40(3)44(46-23-8-10-25-50(46)60)36-34-39(2)62(56-30-18-21-42-20-6-7-22-45(42)56)43-35-37-48-47-24-9-11-26-51(47)61(55(48)38-43)53-28-13-16-32-58(53)64-59-33-17-14-29-54(59)61/h5-38H,2H2,1,3-4H3/b19-5-,36-34-.
What are the key properties of N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 824.04 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-[2,2'-dimethyl-3-[(Z)-prop-1-enyl]spiro[chromene-4,3'-indene]-1'-yl]buta-1,3-dien-2-yl]-N-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 146658952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).