10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]

C47H31N5 — CID 139574635

IUPAC10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccncc2)c2ccccc23)cc1
InChIInChI=1S/C47H31N5/c1-2-13-32(14-3-1)51-41-19-8-4-15-36(41)47(37-16-5-9-20-42(37)51)38-17-6-10-21-43(38)52(44-22-11-7-18-39(44)47)34-24-25-40-35(31-34)46-45(23-12-28-49-46)50(40)33-26-29-48-30-27-33/h1-31H
InChIKeyQPDUFPUAAKCFSJ-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.52
Rot. Bonds3

About 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]

10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] (PubChem CID 139574635) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
PubChem CID139574635
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccncc2)c2ccccc23)cc1
InChIInChI=1S/C47H31N5/c1-2-13-32(14-3-1)51-41-19-8-4-15-36(41)47(37-16-5-9-20-42(37)51)38-17-6-10-21-43(38)52(44-22-11-7-18-39(44)47)34-24-25-40-35(31-34)46-45(23-12-28-49-46)50(40)33-26-29-48-30-27-33/h1-31H
InChIKeyQPDUFPUAAKCFSJ-UHFFFAOYSA-N
XLogP11.52
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
CID 138641297
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
9,9-diphenyl-10-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)acridine
CID 138641305
9,9-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-7-yl)acridine
CID 138641354
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
2,7,9,9-tetramethyl-10-(5-pyrimidin-5-ylpyrido[3,2-b]indol-8-yl)acridine
CID 138641217
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
CID 139575024

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]?
The IUPAC name of 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] (CID 139574635) is 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine].
What is the SMILES notation for 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]?
The canonical SMILES for 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] is c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccncc2)c2ccccc23)cc1.
What is the InChIKey of 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]?
The InChIKey is QPDUFPUAAKCFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-2-13-32(14-3-1)51-41-19-8-4-15-36(41)47(37-16-5-9-20-42(37)51)38-17-6-10-21-43(38)52(44-22-11-7-18-39(44)47)34-24-25-40-35(31-34)46-45(23-12-28-49-46)50(40)33-26-29-48-30-27-33/h1-31H.
What are the key properties of 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]?
10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] has a molecular weight of 665.80 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 139574635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).