2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine

C67H37N13O — CID 141178005

IUPAC2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine
SMILESc1ccc2nc(-c3ccc4c(c3-c3cnc5ccccc5n3)Oc3c(c(-c5cccc6nc7ccccc7nc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5ncc6nccnc6n5)c3-c3ncc5ccccc5n3)N4)ccc2c1
InChIInChI=1S/C67H37N13O/c1-4-19-43-36(13-1)27-29-46(73-43)40-28-30-52-63(55(40)53-34-70-47-22-7-8-23-48(47)75-53)81-64-59(67-71-33-37-14-2-5-20-44(37)79-67)58(66-72-35-54-65(80-66)69-32-31-68-54)56(41-17-11-16-39-38-15-3-6-21-45(38)76-60(39)41)57(62(64)78-52)42-18-12-26-51-61(42)77-50-25-10-9-24-49(50)74-51/h1-35,76,78H
InChIKeyQRVLMFGYTRASQO-UHFFFAOYSA-N
MW1040.12 g/mol
LogP15.44
Rot. Bonds6

About 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine

2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine (PubChem CID 141178005) has the molecular formula C67H37N13O and a molecular weight of 1040.12 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine
PubChem CID141178005
Molecular FormulaC67H37N13O
Molecular Weight1040.12 g/mol
Exact Mass1039.32
IUPAC Name2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine
SMILESc1ccc2nc(-c3ccc4c(c3-c3cnc5ccccc5n3)Oc3c(c(-c5cccc6nc7ccccc7nc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5ncc6nccnc6n5)c3-c3ncc5ccccc5n3)N4)ccc2c1
InChIInChI=1S/C67H37N13O/c1-4-19-43-36(13-1)27-29-46(73-43)40-28-30-52-63(55(40)53-34-70-47-22-7-8-23-48(47)75-53)81-64-59(67-71-33-37-14-2-5-20-44(37)79-67)58(66-72-35-54-65(80-66)69-32-31-68-54)56(41-17-11-16-39-38-15-3-6-21-45(38)76-60(39)41)57(62(64)78-52)42-18-12-26-51-61(42)77-50-25-10-9-24-49(50)74-51/h1-35,76,78H
InChIKeyQRVLMFGYTRASQO-UHFFFAOYSA-N
XLogP15.44
TPSA178.84 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.12
LogP ≤ 515.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine 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

N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
N-(4-(3-(2-((1-ethylpiperidin-4-yl)methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 46890253
N-[4-[2-[4-(1H-benzimidazol-2-ylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 118721230
N-[4-[[3-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 118721234
N-[4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 118721235
4-N-[4-[2-[4-(1H-benzimidazol-2-ylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 118721237
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 118721238
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine
CID 163290825
7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 163290759
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine
CID 163290973
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine
CID 163290988
10,10-Dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
CID 71453158

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine?
The IUPAC name of 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine (CID 141178005) is 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine?
The canonical SMILES for 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine is c1ccc2nc(-c3ccc4c(c3-c3cnc5ccccc5n3)Oc3c(c(-c5cccc6nc7ccccc7nc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5ncc6nccnc6n5)c3-c3ncc5ccccc5n3)N4)ccc2c1.
What is the InChIKey of 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine?
The InChIKey is QRVLMFGYTRASQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H37N13O/c1-4-19-43-36(13-1)27-29-46(73-43)40-28-30-52-63(55(40)53-34-70-47-22-7-8-23-48(47)75-53)81-64-59(67-71-33-37-14-2-5-20-44(37)79-67)58(66-72-35-54-65(80-66)69-32-31-68-54)56(41-17-11-16-39-38-15-3-6-21-45(38)76-60(39)41)57(62(64)78-52)42-18-12-26-51-61(42)77-50-25-10-9-24-49(50)74-51/h1-35,76,78H.
What are the key properties of 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine?
2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine has a molecular weight of 1040.12 g/mol, XLogP of 15.44, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-1-phenazin-1-yl-3-pteridin-2-yl-4-quinazolin-2-yl-7-quinolin-2-yl-6-quinoxalin-2-yl-10H-phenoxazine is sourced from PubChem (CID 141178005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).