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

C63H40N2O — CID 137494511

IUPAC13-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccccc5)cc3c3oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C63H40N2O/c1-5-19-42(20-6-1)64(43-21-7-2-8-22-43)46-34-37-48-41(39-46)33-36-53-58-59-52-29-15-18-32-57(52)66-62(59)54-40-47(65(44-23-9-3-10-24-44)45-25-11-4-12-26-45)35-38-51(54)61(58)63(60(48)53)55-30-16-13-27-49(55)50-28-14-17-31-56(50)63/h1-40H
InChIKeyRWQUYCCFKPKVHJ-UHFFFAOYSA-N
MW841.03 g/mol
LogP17.18
Rot. Bonds6

About 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

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 (PubChem CID 137494511) has the molecular formula C63H40N2O and a molecular weight of 841.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID137494511
Molecular FormulaC63H40N2O
Molecular Weight841.03 g/mol
Exact Mass840.31
IUPAC Name13-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccccc5)cc3c3oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C63H40N2O/c1-5-19-42(20-6-1)64(43-21-7-2-8-22-43)46-34-37-48-41(39-46)33-36-53-58-59-52-29-15-18-32-57(52)66-62(59)54-40-47(65(44-23-9-3-10-24-44)45-25-11-4-12-26-45)35-38-51(54)61(58)63(60(48)53)55-30-16-13-27-49(55)50-28-14-17-31-56(50)63/h1-40H
InChIKeyRWQUYCCFKPKVHJ-UHFFFAOYSA-N
XLogP17.18
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494769
6-[20'-(N-dibenzofuran-2-ylanilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-6'-yl]-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yldibenzofuran-1-amine
CID 137493794
5-N',20-N'-bis(4-methylphenyl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137494022
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 140962590
5-N',20-N'-diphenyl-5-N',20-N'-bis(3,4,5-trimethylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137493831
5-N',20-N'-diphenyl-5-N',20-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137492876
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
5-N'-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1-benzofuran-6-yl]-20-N'-dibenzofuran-3-yl-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137493817
5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137492805
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
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
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccccc5)cc3c3oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is RWQUYCCFKPKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2O/c1-5-19-42(20-6-1)64(43-21-7-2-8-22-43)46-34-37-48-41(39-46)33-36-53-58-59-52-29-15-18-32-57(52)66-62(59)54-40-47(65(44-23-9-3-10-24-44)45-25-11-4-12-26-45)35-38-51(54)61(58)63(60(48)53)55-30-16-13-27-49(55)50-28-14-17-31-56(50)63/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 841.03 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).