10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

C40H26N4 — CID 129310900

IUPAC10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3ccc[nH]3)c3ccccc32)nc1
InChIInChI=1S/C40H26N4/c1-3-14-28-26(12-1)38-31(22-23-35-39(38)27-13-2-6-17-32(27)43(35)37-21-11-25-42-37)40(28)29-15-4-7-18-33(29)44(36-20-9-10-24-41-36)34-19-8-5-16-30(34)40/h1-25,42H
InChIKeyXKTRUQLLZUSVHK-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.65
Rot. Bonds2

About 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (PubChem CID 129310900) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].

Molecular Properties

Compound Name10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
PubChem CID129310900
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3ccc[nH]3)c3ccccc32)nc1
InChIInChI=1S/C40H26N4/c1-3-14-28-26(12-1)38-31(22-23-35-39(38)27-13-2-6-17-32(27)43(35)37-21-11-25-42-37)40(28)29-15-4-7-18-33(29)44(36-20-9-10-24-41-36)34-19-8-5-16-30(34)40/h1-25,42H
InChIKeyXKTRUQLLZUSVHK-UHFFFAOYSA-N
XLogP9.65
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] with MolForge

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Related Compounds

CID 134551695
CID 134551695
10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118104005
10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118103988
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300
CID 134551696
CID 134551696
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,10'-anthracene]
CID 163786674
9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158497091
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
10-phenyl-3,6-bis(pyrido[2,3-b]indol-9-yl)spiro[acridine-9,9'-fluorene]
CID 122367920
5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
CID 58142012
9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126632479
9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 156560140

Frequently Asked Questions

What is the IUPAC name of 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The IUPAC name of 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (CID 129310900) is 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].
What is the SMILES notation for 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The canonical SMILES for 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3ccc[nH]3)c3ccccc32)nc1.
What is the InChIKey of 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The InChIKey is XKTRUQLLZUSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-14-28-26(12-1)38-31(22-23-35-39(38)27-13-2-6-17-32(27)43(35)37-21-11-25-42-37)40(28)29-15-4-7-18-33(29)44(36-20-9-10-24-41-36)34-19-8-5-16-30(34)40/h1-25,42H.
What are the key properties of 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] has a molecular weight of 562.68 g/mol, XLogP of 9.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is sourced from PubChem (CID 129310900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).