N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

C73H47NO — CID 135229752

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)ccc21
InChIInChI=1S/C73H47NO/c1-71(2)57-27-12-7-24-52(57)55-42-46(36-40-58(55)71)74(47-37-41-63-56(43-47)53-25-10-15-30-61(53)72(63)59-28-13-8-22-50(59)51-23-9-14-29-60(51)72)67-33-17-32-64-68(67)54-26-11-16-31-62(54)73(64)65-38-34-44-18-3-5-20-48(44)69(65)75-70-49-21-6-4-19-45(49)35-39-66(70)73/h3-43H,1-2H3
InChIKeyFEEQCBFTBWPNKP-UHFFFAOYSA-N
MW954.19 g/mol
LogP18.58
Rot. Bonds3

About N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (PubChem CID 135229752) has the molecular formula C73H47NO and a molecular weight of 954.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
PubChem CID135229752
Molecular FormulaC73H47NO
Molecular Weight954.19 g/mol
Exact Mass953.37
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)ccc21
InChIInChI=1S/C73H47NO/c1-71(2)57-27-12-7-24-52(57)55-42-46(36-40-58(55)71)74(47-37-41-63-56(43-47)53-25-10-15-30-61(53)72(63)59-28-13-8-22-50(59)51-23-9-14-29-60(51)72)67-33-17-32-64-68(67)54-26-11-16-31-62(54)73(64)65-38-34-44-18-3-5-20-48(44)69(65)75-70-49-21-6-4-19-45(49)35-39-66(70)73/h3-43H,1-2H3
InChIKeyFEEQCBFTBWPNKP-UHFFFAOYSA-N
XLogP18.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.19
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229631
N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229808
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229541
N-(9,9-diphenylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229488
9,9-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135229754
N-(9,9-diphenylfluoren-3-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135229849
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229787
N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229942
N-dibenzofuran-2-yl-N-(9,9-diphenylfluoren-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229859
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229554
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-amine
CID 164845692
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 140918851

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (CID 135229752) is N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The InChIKey is FEEQCBFTBWPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47NO/c1-71(2)57-27-12-7-24-52(57)55-42-46(36-40-58(55)71)74(47-37-41-63-56(43-47)53-25-10-15-30-61(53)72(63)59-28-13-8-22-50(59)51-23-9-14-29-60(51)72)67-33-17-32-64-68(67)54-26-11-16-31-62(54)73(64)65-38-34-44-18-3-5-20-48(44)69(65)75-70-49-21-6-4-19-45(49)35-39-66(70)73/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine has a molecular weight of 954.19 g/mol, XLogP of 18.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 135229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).