N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C59H37NO — CID 130462490

IUPACN-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H37NO/c1-2-18-40(19-3-1)60(42-31-33-58-52(37-42)46-23-9-8-22-45(46)49-26-12-15-29-57(49)61-58)41-30-32-55-51(36-41)50-34-38-16-4-5-17-39(38)35-56(50)59(55)53-27-13-10-24-47(53)43-20-6-7-21-44(43)48-25-11-14-28-54(48)59/h1-37H
InChIKeyLSRLDPSKOWMWMR-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.76
Rot. Bonds3

About N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 130462490) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
PubChem CID130462490
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC NameN-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H37NO/c1-2-18-40(19-3-1)60(42-31-33-58-52(37-42)46-23-9-8-22-45(46)49-26-12-15-29-57(49)61-58)41-30-32-55-51(36-41)50-34-38-16-4-5-17-39(38)35-56(50)59(55)53-27-13-10-24-47(53)43-20-6-7-21-44(43)48-25-11-14-28-54(48)59/h1-37H
InChIKeyLSRLDPSKOWMWMR-UHFFFAOYSA-N
XLogP15.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.95
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130462533
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463618
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N-phenyl-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463442
N-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463532
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-naphthalen-2-yl-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
CID 138581655
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130263988
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine
CID 157359395

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The IUPAC name of N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 130462490) is N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.
What is the SMILES notation for N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The canonical SMILES for N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
The InChIKey is LSRLDPSKOWMWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-2-18-40(19-3-1)60(42-31-33-58-52(37-42)46-23-9-8-22-45(46)49-26-12-15-29-57(49)61-58)41-30-32-55-51(36-41)50-34-38-16-4-5-17-39(38)35-56(50)59(55)53-27-13-10-24-47(53)43-20-6-7-21-44(43)48-25-11-14-28-54(48)59/h1-37H.
What are the key properties of N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?
N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 775.95 g/mol, XLogP of 15.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 130462490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).