10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]

C41H26N4 — CID 138641297

IUPAC10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
SMILESc1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4/c1-3-14-32-29(12-1)30-13-2-4-15-33(30)41(32)34-16-5-7-18-37(34)44(38-19-8-6-17-35(38)41)27-21-22-36-31(25-27)40-39(20-10-24-43-40)45(36)28-11-9-23-42-26-28/h1-26H
InChIKeyZUJQDXKIBPRKAR-UHFFFAOYSA-N
MW574.69 g/mol
LogP9.72
Rot. Bonds2

About 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]

10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 138641297) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
PubChem CID138641297
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
SMILESc1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4/c1-3-14-32-29(12-1)30-13-2-4-15-33(30)41(32)34-16-5-7-18-37(34)44(38-19-8-6-17-35(38)41)27-21-22-36-31(25-27)40-39(20-10-24-43-40)45(36)28-11-9-23-42-26-28/h1-26H
InChIKeyZUJQDXKIBPRKAR-UHFFFAOYSA-N
XLogP9.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
CID 139574635
9,9-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-7-yl)acridine
CID 138641354
10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
CID 139574637
2,7-dimethyl-9,9-diphenyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]acridine;9,9-dimethyl-10-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)acridine;2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-fluorene];2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-xanthene]
CID 157188681
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
9,9-diphenyl-10-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)acridine
CID 138641305
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
2,7,9,9-tetramethyl-10-(5-pyrimidin-5-ylpyrido[3,2-b]indol-8-yl)acridine
CID 138641217
8-[5-[5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-3-pyridinyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517417
10-phenyl-3,6-bis(pyrido[2,3-b]indol-9-yl)spiro[acridine-9,9'-fluorene]
CID 122367920
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
CID 137451109
CID 137451109

Frequently Asked Questions

What is the IUPAC name of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene] (CID 138641297) is 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene] is c1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3c3ncccc32)c1.
What is the InChIKey of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]?
The InChIKey is ZUJQDXKIBPRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-14-32-29(12-1)30-13-2-4-15-33(30)41(32)34-16-5-7-18-37(34)44(38-19-8-6-17-35(38)41)27-21-22-36-31(25-27)40-39(20-10-24-43-40)45(36)28-11-9-23-42-26-28/h1-26H.
What are the key properties of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]?
10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 574.69 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 138641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).