N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine

C54H37NO2 — CID 146645656

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine
SMILESCCc1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H37NO2/c1-2-32-22-25-35(26-23-32)55(36-27-24-33-12-11-13-34(33)30-36)46-31-45-51(53-49(46)41-17-6-10-21-48(41)57-53)50-44(29-28-40-39-16-5-9-20-47(39)56-52(40)50)54(45)42-18-7-3-14-37(42)38-15-4-8-19-43(38)54/h3-10,14-31H,2,11-13H2,1H3
InChIKeyDPMLJNSRYSZACA-UHFFFAOYSA-N
MW731.89 g/mol
LogP14.35
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine

N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine (PubChem CID 146645656) has the molecular formula C54H37NO2 and a molecular weight of 731.89 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine
PubChem CID146645656
Molecular FormulaC54H37NO2
Molecular Weight731.89 g/mol
Exact Mass731.28
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine
SMILESCCc1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H37NO2/c1-2-32-22-25-35(26-23-32)55(36-27-24-33-12-11-13-34(33)30-36)46-31-45-51(53-49(46)41-17-6-10-21-48(41)57-53)50-44(29-28-40-39-16-5-9-20-47(39)56-52(40)50)54(45)42-18-7-3-14-37(42)38-15-4-8-19-43(38)54/h3-10,14-31H,2,11-13H2,1H3
InChIKeyDPMLJNSRYSZACA-UHFFFAOYSA-N
XLogP14.35
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.89
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
CID 129130326
N,N-bis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,22,24-dodecaene-15,9'-fluorene]-18-amine;N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(4-tert-butylphenyl)-15,15-dimethyl-N-(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine;N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(4-ethylphenyl)-5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine
CID 159979969
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-15-amine
CID 129130281
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754
12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-naphthalen-2-ylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 162712218
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 130248084
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
CID 121444454
16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine
CID 137493403
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine (CID 146645656) is N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine is CCc1ccc(N(c2ccc3c(c2)CCC3)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine?
The InChIKey is DPMLJNSRYSZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2/c1-2-32-22-25-35(26-23-32)55(36-27-24-33-12-11-13-34(33)30-36)46-31-45-51(53-49(46)41-17-6-10-21-48(41)57-53)50-44(29-28-40-39-16-5-9-20-47(39)56-52(40)50)54(45)42-18-7-3-14-37(42)38-15-4-8-19-43(38)54/h3-10,14-31H,2,11-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine?
N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine has a molecular weight of 731.89 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N-(4-ethylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-amine is sourced from PubChem (CID 146645656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).