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

C54H35N — CID 164845692

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)ccc21
InChIInChI=1S/C54H35N/c1-53(2)41-20-8-6-16-36(41)40-31-35(28-30-42(40)53)55(34-14-4-3-5-15-34)47-24-12-23-44-50(47)39-17-7-9-21-43(39)54(44)45-22-11-19-38-37-18-10-13-32-25-26-33-27-29-46(54)52(51(38)45)49(33)48(32)37/h3-31H,1-2H3
InChIKeyHKZHMZJSKBMOHR-UHFFFAOYSA-N
MW697.88 g/mol
LogP14.19
Rot. Bonds3

About 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

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 (PubChem CID 164845692) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID164845692
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)ccc21
InChIInChI=1S/C54H35N/c1-53(2)41-20-8-6-16-36(41)40-31-35(28-30-42(40)53)55(34-14-4-3-5-15-34)47-24-12-23-44-50(47)39-17-7-9-21-43(39)54(44)45-22-11-19-38-37-18-10-13-32-25-26-33-27-29-46(54)52(51(38)45)49(33)48(32)37/h3-31H,1-2H3
InChIKeyHKZHMZJSKBMOHR-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775124
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812204
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
CID 156524620

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)ccc21.
What is the InChIKey of 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?
The InChIKey is HKZHMZJSKBMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-53(2)41-20-8-6-16-36(41)40-31-35(28-30-42(40)53)55(34-14-4-3-5-15-34)47-24-12-23-44-50(47)39-17-7-9-21-43(39)54(44)45-22-11-19-38-37-18-10-13-32-25-26-33-27-29-46(54)52(51(38)45)49(33)48(32)37/h3-31H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 697.88 g/mol, XLogP of 14.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164845692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).