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]

C43H27N3 — CID 176917224

IUPAC10'-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]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccc4c([nH]c5ccccc54)c2-c2c3ccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-12-26(13-3-1)46-37-20-10-6-16-31(37)43(32-17-7-11-21-38(32)46)33-24-22-29-27-14-4-8-18-35(27)44-41(29)39(33)40-34(43)25-23-30-28-15-5-9-19-36(28)45-42(30)40/h1-25,44-45H
InChIKeyFTPCGJRIOIZZBZ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.10
Rot. Bonds1

About 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]

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] (PubChem CID 176917224) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name10'-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]
PubChem CID176917224
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name10'-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]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccc4c([nH]c5ccccc54)c2-c2c3ccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-12-26(13-3-1)46-37-20-10-6-16-31(37)43(32-17-7-11-21-38(32)46)33-24-22-29-27-14-4-8-18-35(27)44-41(29)39(33)40-34(43)25-23-30-28-15-5-9-19-36(28)45-42(30)40/h1-25,44-45H
InChIKeyFTPCGJRIOIZZBZ-UHFFFAOYSA-N
XLogP11.10
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 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] with MolForge

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Related Compounds

(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877
2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 145243713
2,8-bis(9H-carbazol-1-yl)-10-phenyl-5H-phenazine
CID 141471405
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 122627210
3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 90253684
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
CID 176917206
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 134531017

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccc4c([nH]c5ccccc54)c2-c2c3ccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 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]?
The InChIKey is FTPCGJRIOIZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-12-26(13-3-1)46-37-20-10-6-16-31(37)43(32-17-7-11-21-38(32)46)33-24-22-29-27-14-4-8-18-35(27)44-41(29)39(33)40-34(43)25-23-30-28-15-5-9-19-36(28)45-42(30)40/h1-25,44-45H.
What are the key properties of 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]?
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] has a molecular weight of 585.71 g/mol, XLogP of 11.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 176917224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).