9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine

C59H38N2 — CID 142283280

IUPAC9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
SMILESC=Cc1c(C=C)n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4-c4ccc5ccc6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc1c32
InChIInChI=1S/C59H38N2/c1-3-41-49-35-40(36-50-46-24-12-17-29-56(46)61(58(49)50)54(41)4-2)60(39-18-6-5-7-19-39)55-28-16-11-20-42(55)38-31-30-37-32-33-47-45-23-10-15-27-53(45)59(57(47)48(37)34-38)51-25-13-8-21-43(51)44-22-9-14-26-52(44)59/h3-36H,1-2H2
InChIKeyVXNCGXXWCVXHHB-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.60
Rot. Bonds6

About 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine

9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine (PubChem CID 142283280) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine.

Molecular Properties

Compound Name9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
PubChem CID142283280
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC Name9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
SMILESC=Cc1c(C=C)n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4-c4ccc5ccc6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc1c32
InChIInChI=1S/C59H38N2/c1-3-41-49-35-40(36-50-46-24-12-17-29-56(46)61(58(49)50)54(41)4-2)60(39-18-6-5-7-19-39)55-28-16-11-20-42(55)38-31-30-37-32-33-47-45-23-10-15-27-53(45)59(57(47)48(37)34-38)51-25-13-8-21-43(51)44-22-9-14-26-52(44)59/h3-36H,1-2H2
InChIKeyVXNCGXXWCVXHHB-UHFFFAOYSA-N
XLogP15.60
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine with MolForge

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Related Compounds

N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 134240913
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]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]-10-amine;N-naphthalen-1-yl-N-[2-(3-phenylphenyl)phenyl]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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-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]-10-amine
CID 157356224
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-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]-10-amine
CID 135167321
N-phenyl-2-(4-phenylphenyl)-N-(2-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]-2'-ylphenyl)aniline
CID 135167059
N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118087622
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 165158458
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine
CID 135167354
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
N-[2-(3-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]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]-2'-amine;N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]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]-2'-amine;N-phenyl-N-[2-(3-phenylphenyl)phenyl]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]-2'-amine
CID 158365942

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?
The IUPAC name of 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine (CID 142283280) is 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine.
What is the SMILES notation for 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?
The canonical SMILES for 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine is C=Cc1c(C=C)n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4-c4ccc5ccc6c(c5c4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc1c32.
What is the InChIKey of 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?
The InChIKey is VXNCGXXWCVXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-3-41-49-35-40(36-50-46-24-12-17-29-56(46)61(58(49)50)54(41)4-2)60(39-18-6-5-7-19-39)55-28-16-11-20-42(55)38-31-30-37-32-33-47-45-23-10-15-27-53(45)59(57(47)48(37)34-38)51-25-13-8-21-43(51)44-22-9-14-26-52(44)59/h3-36H,1-2H2.
What are the key properties of 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?
9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine has a molecular weight of 774.97 g/mol, XLogP of 15.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(ethenyl)-N-phenyl-N-(2-spiro[benzo[a]fluorene-11,9'-fluorene]-2-ylphenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine is sourced from PubChem (CID 142283280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).