16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine

C69H42N2O2 — CID 137493954

IUPAC16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(c5oc6ccccc6c5c3c2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3ccc5c6ccccc6oc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C69H42N2O2/c1-5-21-43(22-6-1)70(44-23-7-2-8-24-44)47-37-38-51-55(41-47)62-54-32-16-20-36-61(54)73-68(62)65-64-58(69(66(51)65)56-33-17-13-29-48(56)49-30-14-18-34-57(49)69)42-59(71(45-25-9-3-10-26-45)46-27-11-4-12-28-46)53-40-39-52-50-31-15-19-35-60(50)72-67(52)63(53)64/h1-42H
InChIKeyKKNIASJXGGCIOO-UHFFFAOYSA-N
MW931.11 g/mol
LogP19.07
Rot. Bonds6

About 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine

16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine (PubChem CID 137493954) has the molecular formula C69H42N2O2 and a molecular weight of 931.11 g/mol. Its IUPAC name is 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine.

Molecular Properties

Compound Name16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine
PubChem CID137493954
Molecular FormulaC69H42N2O2
Molecular Weight931.11 g/mol
Exact Mass930.32
IUPAC Name16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(c5oc6ccccc6c5c3c2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3ccc5c6ccccc6oc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C69H42N2O2/c1-5-21-43(22-6-1)70(44-23-7-2-8-24-44)47-37-38-51-55(41-47)62-54-32-16-20-36-61(54)73-68(62)65-64-58(69(66(51)65)56-33-17-13-29-48(56)49-30-14-18-34-57(49)69)42-59(71(45-25-9-3-10-26-45)46-27-11-4-12-28-46)53-40-39-52-50-31-15-19-35-60(50)72-67(52)63(53)64/h1-42H
InChIKeyKKNIASJXGGCIOO-UHFFFAOYSA-N
XLogP19.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.11
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine with MolForge

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Related Compounds

13-N,13-N,23-N,23-N-tetraphenylspiro[9-oxaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20(25),21,23,26-tridecaene-18,9'-fluorene]-13,23-diamine
CID 137494511
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
1-N-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-1-N,2-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 171416978
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzofuran-1-amine
CID 140962533
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
2-N-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-2-N,4-N-diphenyl-4-N-[3-(N-phenylanilino)phenyl]dibenzofuran-2,4-diamine
CID 171417073
18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine
CID 155458118
21,21-dimethyl-N-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)spiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene-18,9'-fluorene]-24-amine
CID 155458153
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337

Frequently Asked Questions

What is the IUPAC name of 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine?
The IUPAC name of 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine (CID 137493954) is 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine.
What is the SMILES notation for 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine?
The canonical SMILES for 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine is c1ccc(N(c2ccccc2)c2ccc3c4c(c5oc6ccccc6c5c3c2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3ccc5c6ccccc6oc5c23)C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine?
The InChIKey is KKNIASJXGGCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N2O2/c1-5-21-43(22-6-1)70(44-23-7-2-8-24-44)47-37-38-51-55(41-47)62-54-32-16-20-36-61(54)73-68(62)65-64-58(69(66(51)65)56-33-17-13-29-48(56)49-30-14-18-34-57(49)69)42-59(71(45-25-9-3-10-26-45)46-27-11-4-12-28-46)53-40-39-52-50-31-15-19-35-60(50)72-67(52)63(53)64/h1-42H.
What are the key properties of 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine?
16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine has a molecular weight of 931.11 g/mol, XLogP of 19.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-N,16-N,24-N,24-N-tetraphenylspiro[5,34-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(12),6,8,10,13,15,17,21(26),22,24,27(35),28,30,32-hexadecaene-19,9'-fluorene]-16,24-diamine is sourced from PubChem (CID 137493954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).