16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine

C69H42N2O2 — CID 140962574

IUPAC16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2c(cc(N(c3ccccc3)c3ccccc3)c3c2ccc2oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C69H42N2O2/c1-5-21-44(22-6-1)70(45-23-7-2-8-24-45)59-42-58-64(52-37-38-63-67(66(52)59)51-32-16-19-35-61(51)72-63)54-41-53-43(39-57(54)69(58)55-33-17-13-29-48(55)49-30-14-18-34-56(49)69)40-60(68-65(53)50-31-15-20-36-62(50)73-68)71(46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H
InChIKeyGKCOFMXSKMKBOG-UHFFFAOYSA-N
MW931.11 g/mol
LogP19.07
Rot. Bonds6

About 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine

16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine (PubChem CID 140962574) 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[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine.

Molecular Properties

Compound Name16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine
PubChem CID140962574
Molecular FormulaC69H42N2O2
Molecular Weight931.11 g/mol
Exact Mass930.32
IUPAC Name16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2c(cc(N(c3ccccc3)c3ccccc3)c3c2ccc2oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C69H42N2O2/c1-5-21-44(22-6-1)70(45-23-7-2-8-24-45)59-42-58-64(52-37-38-63-67(66(52)59)51-32-16-19-35-61(51)72-63)54-41-53-43(39-57(54)69(58)55-33-17-13-29-48(55)49-30-14-18-34-56(49)69)40-60(68-65(53)50-31-15-20-36-62(50)73-68)71(46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H
InChIKeyGKCOFMXSKMKBOG-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[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine with MolForge

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Related Compounds

8-N,8-N,16-N,16-N-tetraphenylspiro[19-oxaheptacyclo[15.11.0.02,14.03,12.05,10.018,26.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(26),20,22,24,27-tridecaene-13,9'-fluorene]-8,16-diamine;8-N,8-N,16-N,16-N-tetraphenylspiro[20-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,27.021,26]octacosa-1,3(12),4,6,8,10,14,16,18,21,23,25,27-tridecaene-13,9'-fluorene]-8,16-diamine;8-N,8-N,16-N,16-N-tetraphenylspiro[25-oxaheptacyclo[15.11.0.02,14.03,12.05,10.018,26.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(26),19,21,23,27-tridecaene-13,9'-fluorene]-8,16-diamine;8-N,8-N,16-N,16-N-tetraphenylspiro[26-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,27-tridecaene-13,9'-fluorene]-8,16-diamine;13-N,13-N,21-N,21-N-tetraphenylspiro[11-oxaheptacyclo[15.11.0.03,15.04,12.05,10.019,28.022,27]octacosa-1(17),2,4(12),5,7,9,13,15,19(28),20,22,24,26-tridecaene-18,9'-fluorene]-13,21-diamine;15-N,15-N,23-N,23-N-tetraphenylspiro[4-oxaheptacyclo[15.11.0.02,14.03,11.05,10.019,28.021,26]octacosa-1,3(11),5,7,9,12,14,16,19(28),20,22,24,26-tridecaene-18,9'-fluorene]-15,23-diamine
CID 161060027
14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
CID 145353106
CID 134561072
CID 134561072
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,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536382
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536164
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444420

Frequently Asked Questions

What is the IUPAC name of 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine?
The IUPAC name of 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine (CID 140962574) is 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine.
What is the SMILES notation for 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine?
The canonical SMILES for 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine is c1ccc(N(c2ccccc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2c(cc(N(c3ccccc3)c3ccccc3)c3c2ccc2oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine?
The InChIKey is GKCOFMXSKMKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N2O2/c1-5-21-44(22-6-1)70(45-23-7-2-8-24-45)59-42-58-64(52-37-38-63-67(66(52)59)51-32-16-19-35-61(51)72-63)54-41-53-43(39-57(54)69(58)55-33-17-13-29-48(55)49-30-14-18-34-56(49)69)40-60(68-65(53)50-31-15-20-36-62(50)73-68)71(46-25-9-3-10-26-46)47-27-11-4-12-28-47/h1-42H.
What are the key properties of 16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine?
16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-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[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine is sourced from PubChem (CID 140962574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).