10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one

C61H39N5O2 — CID 130354253

IUPAC10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2cc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc(-n3c4ccccc4c(=O)c4ccccc43)c2)c2ccccc12
InChIInChI=1S/C61H39N5O2/c67-60-48-19-7-11-23-54(48)65(55-24-12-8-20-49(55)60)46-35-41(36-47(37-46)66-56-25-13-9-21-50(56)61(68)51-22-10-14-26-57(51)66)40-27-29-44(30-28-40)64-58-32-31-45(38-52(58)53-39-62-34-33-59(53)64)63(42-15-3-1-4-16-42)43-17-5-2-6-18-43/h1-39H
InChIKeyOEVKPWMXEUEBGK-UHFFFAOYSA-N
MW874.02 g/mol
LogP14.23
Rot. Bonds7

About 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one

10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one (PubChem CID 130354253) has the molecular formula C61H39N5O2 and a molecular weight of 874.02 g/mol. Its IUPAC name is 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one.

Molecular Properties

Compound Name10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
PubChem CID130354253
Molecular FormulaC61H39N5O2
Molecular Weight874.02 g/mol
Exact Mass873.31
IUPAC Name10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2cc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc(-n3c4ccccc4c(=O)c4ccccc43)c2)c2ccccc12
InChIInChI=1S/C61H39N5O2/c67-60-48-19-7-11-23-54(48)65(55-24-12-8-20-49(55)60)46-35-41(36-47(37-46)66-56-25-13-9-21-50(56)61(68)51-22-10-14-26-57(51)66)40-27-29-44(30-28-40)64-58-32-31-45(38-52(58)53-39-62-34-33-59(53)64)63(42-15-3-1-4-16-42)43-17-5-2-6-18-43/h1-39H
InChIKeyOEVKPWMXEUEBGK-UHFFFAOYSA-N
XLogP14.23
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.02
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354916
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
CID 130355082
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 130353095
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
N,N-diphenyl-5-[4-[11-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]-4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,10-pentaen-5-yl]phenyl]pyrido[4,3-b]indol-8-amine
CID 135252515

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one?
The IUPAC name of 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one (CID 130354253) is 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one.
What is the SMILES notation for 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one?
The canonical SMILES for 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one is O=c1c2ccccc2n(-c2cc(-c3ccc(-n4c5ccncc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc(-n3c4ccccc4c(=O)c4ccccc43)c2)c2ccccc12.
What is the InChIKey of 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one?
The InChIKey is OEVKPWMXEUEBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5O2/c67-60-48-19-7-11-23-54(48)65(55-24-12-8-20-49(55)60)46-35-41(36-47(37-46)66-56-25-13-9-21-50(56)61(68)51-22-10-14-26-57(51)66)40-27-29-44(30-28-40)64-58-32-31-45(38-52(58)53-39-62-34-33-59(53)64)63(42-15-3-1-4-16-42)43-17-5-2-6-18-43/h1-39H.
What are the key properties of 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one?
10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one has a molecular weight of 874.02 g/mol, XLogP of 14.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one is sourced from PubChem (CID 130354253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).