17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]

C40H35N — CID 126598612

IUPAC17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]
SMILESCC1(C)c2cc3[nH]c4c5c(ccc4c3cc2C(C)(C)C1(C)C)C1(c2ccccc2-c2ccccc21)c1ccccc1-5
InChIInChI=1S/C40H35N/c1-37(2)32-21-27-25-19-20-31-35(36(25)41-34(27)22-33(32)38(3,4)39(37,5)6)26-15-9-12-18-30(26)40(31)28-16-10-7-13-23(28)24-14-8-11-17-29(24)40/h7-22,41H,1-6H3
InChIKeyUDOQSKUDUQGOGE-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.26
Rot. Bonds

About 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]

17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] (PubChem CID 126598612) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene].

Molecular Properties

Compound Name17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]
PubChem CID126598612
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC Name17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]
SMILESCC1(C)c2cc3[nH]c4c5c(ccc4c3cc2C(C)(C)C1(C)C)C1(c2ccccc2-c2ccccc21)c1ccccc1-5
InChIInChI=1S/C40H35N/c1-37(2)32-21-27-25-19-20-31-35(36(25)41-34(27)22-33(32)38(3,4)39(37,5)6)26-15-9-12-18-30(26)40(31)28-16-10-7-13-23(28)24-14-8-11-17-29(24)40/h7-22,41H,1-6H3
InChIKeyUDOQSKUDUQGOGE-UHFFFAOYSA-N
XLogP10.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] with MolForge

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Related Compounds

3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 90253684
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877
(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 122627210
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
CID 67472219
spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598837
spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
10'-phenylspiro[4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene-15,9'-acridine]
CID 176917224
spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]
CID 135273802

Frequently Asked Questions

What is the IUPAC name of 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]?
The IUPAC name of 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] (CID 126598612) is 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene].
What is the SMILES notation for 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]?
The canonical SMILES for 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] is CC1(C)c2cc3[nH]c4c5c(ccc4c3cc2C(C)(C)C1(C)C)C1(c2ccccc2-c2ccccc21)c1ccccc1-5.
What is the InChIKey of 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]?
The InChIKey is UDOQSKUDUQGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-37(2)32-21-27-25-19-20-31-35(36(25)41-34(27)22-33(32)38(3,4)39(37,5)6)26-15-9-12-18-30(26)40(31)28-16-10-7-13-23(28)24-14-8-11-17-29(24)40/h7-22,41H,1-6H3.
What are the key properties of 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]?
17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] has a molecular weight of 529.73 g/mol, XLogP of 10.26, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene] is sourced from PubChem (CID 126598612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).